 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_M11-augccpVDZr.in
 Output=03_trispirononane_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/03_trispirononane_STD/Gau-1778.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1780.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=03_trispirononane_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 348 were deleted.
 There are   333 symmetry adapted cartesian basis functions of A   symmetry.
 There are   315 symmetry adapted basis functions of A   symmetry.
   315 basis functions,   567 primitive gaussians,   333 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:22:31 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   315 RedAO= T EigKep=  8.09D-06  NBF=   315
 NBsUse=   315 1.00D-06 EigRej= -1.00D+00 NBFU=   315
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   333   333   333   333   333 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:               8.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:33 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:34 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737187857 LenY= 10737076527
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.827036148262    
 DIIS: error= 4.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.827036148262     IErMin= 1 ErrMin= 4.53D-03
 ErrMax= 4.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.84D-03 BMatP= 9.84D-03
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.472 Goal=   None    Shift=    0.000
 GapD=    0.472 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.30D-02 MaxDP=1.19D+00              OVMax= 1.36D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.14D-02    CP:  1.34D+00
 E= -349.836841466257     Delta-E=       -0.009805317995 Rises=F Damp=F
 DIIS: error= 5.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.836841466257     IErMin= 2 ErrMin= 5.69D-04
 ErrMax= 5.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-04 BMatP= 9.84D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.69D-03
 Coeff-Com: -0.664D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.660D-01 0.107D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=3.94D-03 MaxDP=2.58D-01 DE=-9.81D-03 OVMax= 3.70D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.79D-03    CP:  1.38D+00  1.16D+00
 E= -349.837103353176     Delta-E=       -0.000261886919 Rises=F Damp=F
 DIIS: error= 3.64D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.837103353176     IErMin= 3 ErrMin= 3.64D-04
 ErrMax= 3.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.11D-05 BMatP= 1.93D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.64D-03
 Coeff-Com: -0.337D-01 0.347D+00 0.687D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.336D-01 0.346D+00 0.688D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.06D-04 MaxDP=2.15D-02 DE=-2.62D-04 OVMax= 1.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.38D-04    CP:  1.39D+00  1.17D+00  1.09D+00
 E= -349.837156101343     Delta-E=       -0.000052748167 Rises=F Damp=F
 DIIS: error= 1.15D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.837156101343     IErMin= 4 ErrMin= 1.15D-04
 ErrMax= 1.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-06 BMatP= 5.11D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.15D-03
 Coeff-Com: -0.162D-03-0.568D-01 0.177D+00 0.880D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.162D-03-0.567D-01 0.177D+00 0.880D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=5.74D-03 DE=-5.27D-05 OVMax= 5.21D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.10D-05    CP:  1.39D+00  1.17D+00  1.14D+00  1.07D+00
 E= -349.837162099529     Delta-E=       -0.000005998186 Rises=F Damp=F
 DIIS: error= 1.98D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.837162099529     IErMin= 5 ErrMin= 1.98D-05
 ErrMax= 1.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-07 BMatP= 4.89D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-02-0.424D-01 0.121D-01 0.277D+00 0.751D+00
 Coeff:      0.223D-02-0.424D-01 0.121D-01 0.277D+00 0.751D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.73D-05 MaxDP=5.28D-04 DE=-6.00D-06 OVMax= 1.45D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.36D-05    CP:  1.39D+00  1.17D+00  1.14D+00  1.09D+00  1.12D+00
 E= -349.837162535206     Delta-E=       -0.000000435678 Rises=F Damp=F
 DIIS: error= 6.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.837162535206     IErMin= 6 ErrMin= 6.23D-06
 ErrMax= 6.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-08 BMatP= 3.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.342D-03-0.104D-02-0.159D-01-0.380D-01 0.151D+00 0.904D+00
 Coeff:      0.342D-03-0.104D-02-0.159D-01-0.380D-01 0.151D+00 0.904D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.90D-06 MaxDP=5.13D-04 DE=-4.36D-07 OVMax= 4.58D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.83D-06    CP:  1.39D+00  1.17D+00  1.14D+00  1.10D+00  1.17D+00
                    CP:  1.12D+00
 E= -349.837162571722     Delta-E=       -0.000000036516 Rises=F Damp=F
 DIIS: error= 2.28D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.837162571722     IErMin= 7 ErrMin= 2.28D-06
 ErrMax= 2.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-09 BMatP= 2.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.962D-05 0.217D-02-0.692D-02-0.299D-01 0.726D-02 0.314D+00
 Coeff-Com:  0.714D+00
 Coeff:     -0.962D-05 0.217D-02-0.692D-02-0.299D-01 0.726D-02 0.314D+00
 Coeff:      0.714D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.78D-06 MaxDP=7.82D-05 DE=-3.65D-08 OVMax= 1.61D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.29D-06    CP:  1.39D+00  1.17D+00  1.14D+00  1.10D+00  1.17D+00
                    CP:  1.17D+00  1.16D+00
 E= -349.837162575535     Delta-E=       -0.000000003814 Rises=F Damp=F
 DIIS: error= 6.93D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.837162575535     IErMin= 8 ErrMin= 6.93D-07
 ErrMax= 6.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-10 BMatP= 3.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.508D-04 0.673D-03 0.215D-03-0.185D-02-0.204D-01-0.600D-01
 Coeff-Com:  0.161D+00 0.920D+00
 Coeff:     -0.508D-04 0.673D-03 0.215D-03-0.185D-02-0.204D-01-0.600D-01
 Coeff:      0.161D+00 0.920D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.83D-07 MaxDP=2.35D-05 DE=-3.81D-09 OVMax= 7.25D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.83D-07    CP:  1.39D+00  1.17D+00  1.14D+00  1.11D+00  1.16D+00
                    CP:  1.19D+00  1.32D+00  1.13D+00
 E= -349.837162575972     Delta-E=       -0.000000000436 Rises=F Damp=F
 DIIS: error= 8.52D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.837162575972     IErMin= 9 ErrMin= 8.52D-08
 ErrMax= 8.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-12 BMatP= 2.40D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.540D-06-0.100D-03 0.264D-03 0.152D-02 0.327D-03-0.151D-01
 Coeff-Com: -0.352D-01 0.291D-02 0.105D+01
 Coeff:      0.540D-06-0.100D-03 0.264D-03 0.152D-02 0.327D-03-0.151D-01
 Coeff:     -0.352D-01 0.291D-02 0.105D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.57D-07 MaxDP=1.64D-05 DE=-4.36D-10 OVMax= 1.61D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  1.39D+00  1.17D+00  1.14D+00  1.11D+00  1.16D+00
                    CP:  1.19D+00  1.34D+00  1.20D+00  1.27D+00
 E= -349.837162576006     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 3.94D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.837162576006     IErMin=10 ErrMin= 3.94D-08
 ErrMax= 3.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-12 BMatP= 5.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.299D-05-0.732D-04 0.797D-04 0.644D-03 0.140D-02-0.193D-02
 Coeff-Com: -0.222D-01-0.528D-01 0.380D+00 0.695D+00
 Coeff:      0.299D-05-0.732D-04 0.797D-04 0.644D-03 0.140D-02-0.193D-02
 Coeff:     -0.222D-01-0.528D-01 0.380D+00 0.695D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=5.79D-08 MaxDP=3.05D-06 DE=-3.43D-11 OVMax= 3.26D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.10D-08    CP:  1.39D+00  1.17D+00  1.14D+00  1.11D+00  1.16D+00
                    CP:  1.19D+00  1.34D+00  1.21D+00  1.34D+00  1.13D+00
 E= -349.837162576004     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 7.19D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -349.837162576006     IErMin=11 ErrMin= 7.19D-09
 ErrMax= 7.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-14 BMatP= 1.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-06 0.233D-05-0.174D-04-0.909D-04 0.142D-03 0.126D-02
 Coeff-Com:  0.103D-02-0.630D-02-0.619D-01 0.734D-01 0.992D+00
 Coeff:      0.233D-06 0.233D-05-0.174D-04-0.909D-04 0.142D-03 0.126D-02
 Coeff:      0.103D-02-0.630D-02-0.619D-01 0.734D-01 0.992D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=1.01D-06 DE= 2.16D-12 OVMax= 1.22D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.81D-09    CP:  1.39D+00  1.17D+00  1.14D+00  1.11D+00  1.16D+00
                    CP:  1.19D+00  1.34D+00  1.21D+00  1.37D+00  1.25D+00
                    CP:  1.26D+00
 E= -349.837162576026     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.64D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -349.837162576026     IErMin=12 ErrMin= 1.64D-09
 ErrMax= 1.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-15 BMatP= 4.49D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-06 0.392D-05-0.504D-05-0.391D-04-0.569D-04 0.183D-03
 Coeff-Com:  0.114D-02 0.195D-02-0.221D-01-0.286D-01 0.658D-01 0.982D+00
 Coeff:     -0.148D-06 0.392D-05-0.504D-05-0.391D-04-0.569D-04 0.183D-03
 Coeff:      0.114D-02 0.195D-02-0.221D-01-0.286D-01 0.658D-01 0.982D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.10D-09 MaxDP=1.01D-07 DE=-2.23D-11 OVMax= 2.59D-08

 SCF Done:  E(RM11) =  -349.837162576     A.U. after   12 cycles
            NFock= 12  Conv=0.41D-08     -V/T= 2.0064
 KE= 3.476029143944D+02 PE=-1.672395145721D+03 EE= 5.436584035665D+02
 Leave Link  502 at Thu Jul  8 19:25:32 2021, MaxMem= 10737418240 cpu:            2846.6 elap:             178.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   315
 NBasis=   315 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    315 NOA=    33 NOB=    33 NVA=   282 NVB=   282

 **** Warning!!: The largest alpha MO coefficient is  0.68615031D+02

 Leave Link  801 at Thu Jul  8 19:25:33 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6490 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.55D-13 8.33D-09 XBig12= 1.00D+00 2.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.55D-13 8.33D-09 XBig12= 1.31D-01 3.77D-02.
     11 vectors produced by pass  2 Test12= 1.55D-13 8.33D-09 XBig12= 2.31D-02 1.79D-02.
     11 vectors produced by pass  3 Test12= 1.55D-13 8.33D-09 XBig12= 2.11D-03 6.36D-03.
     11 vectors produced by pass  4 Test12= 1.55D-13 8.33D-09 XBig12= 9.70D-05 1.33D-03.
     11 vectors produced by pass  5 Test12= 1.55D-13 8.33D-09 XBig12= 4.73D-06 2.31D-04.
     11 vectors produced by pass  6 Test12= 1.55D-13 8.33D-09 XBig12= 5.13D-07 9.35D-05.
     11 vectors produced by pass  7 Test12= 1.55D-13 8.33D-09 XBig12= 1.90D-08 2.47D-05.
     11 vectors produced by pass  8 Test12= 1.55D-13 8.33D-09 XBig12= 3.80D-10 3.68D-06.
     10 vectors produced by pass  9 Test12= 1.55D-13 8.33D-09 XBig12= 7.16D-12 3.82D-07.
      7 vectors produced by pass 10 Test12= 1.55D-13 8.33D-09 XBig12= 1.80D-13 5.81D-08.
      1 vectors produced by pass 11 Test12= 1.55D-13 8.33D-09 XBig12= 7.34D-15 9.64D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.123297D+03
      2 -0.299204D-03  0.100105D+03
      3  0.148541D+01  0.111789D-03  0.948839D+02
 Isotropic polarizability for W=    0.085645      106.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.177333D-01 -0.257916D+02 -0.372994D-02
      2   0.525511D-02 -0.852027D+01 -0.110606D-01
      3   0.124781D-01  0.343119D+02  0.147906D-01
      4  -0.287813D+02 -0.125634D-02 -0.717693D+00
      5  -0.283730D-02  0.212654D+01  0.124750D-01
      6  -0.184152D+01 -0.129287D-01  0.167013D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.817452D+01 -0.388599D-03  0.186496D+01
      2  -0.185410D-02 -0.257887D+01  0.344533D-02
      3   0.255309D+02 -0.724656D-03 -0.365132D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.284423D+01 -0.186804D-02  0.176105D+02
      2  -0.892646D-03  0.112383D+01 -0.314663D-05
      3  -0.298971D+01  0.651145D-02 -0.396807D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.240403D+01  0.215589D-03 -0.502136D+01
      2   0.215589D-03  0.254256D+01  0.133370D-03
      3  -0.502136D+01  0.133370D-03  0.180581D+01
 OR G Eigenvalues:    -5.7438     2.5426     5.1456  Iso=    -0.6481
 Eigenvectors:
   (1)   0.832646  -0.000031   0.553805
   (2)   0.000024   1.000000   0.000020
   (3)  -0.553805  -0.000003   0.832646
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6481 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -255.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   49770 ScalPx= 7.05D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.59D-14 2.78D-09 XBig12= 1.00D+00 4.37D-01.
     30 vectors produced by pass  1 Test12= 2.59D-14 2.78D-09 XBig12= 3.19D-02 2.77D-02.
     30 vectors produced by pass  2 Test12= 2.59D-14 2.78D-09 XBig12= 2.44D-03 7.90D-03.
     30 vectors produced by pass  3 Test12= 2.59D-14 2.78D-09 XBig12= 3.03D-05 7.57D-04.
     30 vectors produced by pass  4 Test12= 2.59D-14 2.78D-09 XBig12= 5.52D-07 1.11D-04.
     30 vectors produced by pass  5 Test12= 2.59D-14 2.78D-09 XBig12= 6.58D-09 1.10D-05.
     30 vectors produced by pass  6 Test12= 2.59D-14 2.78D-09 XBig12= 7.01D-11 1.20D-06.
     30 vectors produced by pass  7 Test12= 2.59D-14 2.78D-09 XBig12= 7.20D-13 9.00D-08.
     16 vectors produced by pass  8 Test12= 2.59D-14 2.78D-09 XBig12= 8.74D-15 1.00D-08.
      3 vectors produced by pass  9 Test12= 2.59D-14 2.78D-09 XBig12= 4.82D-15 6.27D-09.
      1 vectors produced by pass 10 Test12= 2.59D-14 2.78D-09 XBig12= 5.47D-16 3.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 3.44D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 3.44D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.95D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123297D+03 -0.299204D-03  0.148541D+01
      2  -0.299204D-03  0.100105D+03  0.111789D-03
      3   0.148541D+01  0.111789D-03  0.948839D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.817452D+01 -0.388599D-03  0.186496D+01
      2  -0.185410D-02 -0.257887D+01  0.344533D-02
      3   0.255309D+02 -0.724656D-03 -0.365132D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.177333D-01 -0.257916D+02 -0.372994D-02
      2   0.525511D-02 -0.852027D+01 -0.110606D-01
      3   0.124781D-01  0.343119D+02  0.147906D-01
      4  -0.287813D+02 -0.125634D-02 -0.717693D+00
      5  -0.283730D-02  0.212654D+01  0.124750D-01
      6  -0.184152D+01 -0.129287D-01  0.167013D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.358651D+01  0.326271D+01 -0.556222D+01 -0.818464D+00 -0.352278D+01
      2   0.326271D+01 -0.449741D+01  0.101489D+01 -0.352278D+01 -0.262126D+01
      3  -0.556222D+01  0.101489D+01  0.295761D+01  0.200683D+01 -0.145141D+01
                 6             7             8             9            10 
      1   0.200683D+01 -0.242939D+01 -0.115890D+01  0.200436D+01  0.115584D+00
      2  -0.145141D+01 -0.115890D+01 -0.282970D+01  0.245900D+01  0.795748D+00
      3   0.359673D+01  0.200436D+01  0.245900D+01  0.276951D+01 -0.152814D+01
                11            12            13            14            15 
      1   0.795748D+00 -0.152814D+01  0.243327D+01 -0.108197D+01 -0.296445D+01
      2   0.861600D-01  0.678473D+00 -0.108197D+01  0.122093D+01  0.137760D+01
      3   0.678473D+00 -0.117781D+00 -0.296445D+01  0.137760D+01 -0.154446D+01
                16            17            18            19            20 
      1  -0.554055D+01 -0.111286D+01  0.128619D+01 -0.119819D-02 -0.491335D+00
      2  -0.111286D+01  0.317361D+01 -0.115718D+01 -0.491335D+00  0.788334D-04
      3   0.128619D+01 -0.115718D+01  0.142757D+00 -0.129745D-03 -0.155289D-01
                21            22            23            24            25 
      1  -0.129745D-03  0.212171D+01 -0.174431D-02  0.360479D+01  0.600472D-03
      2  -0.155289D-01 -0.174431D-02  0.787678D+00  0.491618D-04  0.521034D+01
      3   0.162280D-03  0.360479D+01  0.491618D-04 -0.236723D+01  0.215505D-02
                26            27            28            29            30 
      1   0.521034D+01  0.215505D-02  0.713635D+00 -0.375142D+01  0.333520D+01
      2   0.382918D-03 -0.122337D+01 -0.375142D+01 -0.205675D+00 -0.399493D+00
      3  -0.122337D+01 -0.135789D-02  0.333520D+01 -0.399493D+00  0.223834D+01
                31            32            33            34            35 
      1  -0.609035D+01  0.235209D+01 -0.144708D+00  0.492982D+01  0.136422D+01
      2   0.235209D+01  0.244562D+01  0.338016D+01  0.136422D+01  0.220359D+01
      3  -0.144708D+00  0.338016D+01  0.264847D+01  0.897901D+00  0.171456D+01
                36            37            38            39            40 
      1   0.897901D+00  0.139633D+01 -0.297313D+01  0.711995D+00 -0.243299D+01
      2   0.171456D+01 -0.297313D+01  0.313404D+01 -0.355765D+01  0.290981D+01
      3  -0.353406D+01  0.711995D+00 -0.355765D+01 -0.369230D+01 -0.129842D+01
                41            42            43            44            45 
      1   0.290981D+01 -0.129842D+01  0.245014D+01 -0.434133D+01 -0.306918D+01
      2  -0.221165D+01 -0.244018D+01 -0.434133D+01 -0.254146D+01 -0.532716D-01
      3  -0.244018D+01 -0.469070D+00 -0.306918D+01 -0.532716D-01  0.684836D+00
                46            47            48            49            50 
      1  -0.358570D+01  0.326016D+01  0.556208D+01 -0.818916D+00  0.352332D+01
      2   0.326016D+01  0.449674D+01  0.101624D+01  0.352332D+01 -0.262284D+01
      3   0.556208D+01  0.101624D+01 -0.295992D+01  0.200876D+01  0.144848D+01
                51            52            53            54            55 
      1   0.200876D+01  0.242775D+01 -0.115778D+01 -0.200710D+01 -0.109804D+00
      2   0.144848D+01 -0.115778D+01  0.282644D+01  0.246003D+01  0.795862D+00
      3   0.359672D+01 -0.200710D+01  0.246003D+01 -0.276572D+01  0.152868D+01
                56            57            58            59            60 
      1   0.795862D+00  0.152868D+01  0.243137D+01  0.108321D+01 -0.296378D+01
      2  -0.869796D-01  0.678069D+00  0.108321D+01  0.122357D+01 -0.137589D+01
      3   0.678069D+00  0.117899D+00 -0.296378D+01 -0.137589D+01 -0.154444D+01
                61            62            63            64            65 
      1   0.554141D+01 -0.111277D+01 -0.128835D+01 -0.139842D+01 -0.297699D+01
      2  -0.111277D+01 -0.317224D+01 -0.115889D+01 -0.297699D+01 -0.313046D+01
      3  -0.128835D+01 -0.115889D+01 -0.144138D+00 -0.711308D+00 -0.355960D+01
                66            67            68            69            70 
      1  -0.711308D+00 -0.243461D+01 -0.290646D+01 -0.129991D+01 -0.244942D+01
      2  -0.355960D+01 -0.290646D+01 -0.221392D+01  0.244115D+01 -0.434222D+01
      3   0.368917D+01 -0.129991D+01  0.244115D+01 -0.465678D+00  0.306705D+01
                71            72            73            74            75 
      1  -0.434222D+01  0.306705D+01 -0.721095D+00 -0.375021D+01 -0.333773D+01
      2   0.254197D+01 -0.487450D-01 -0.375021D+01  0.206448D+00 -0.396893D+00
      3  -0.487450D-01 -0.688994D+00 -0.333773D+01 -0.396893D+00 -0.223510D+01
                76            77            78            79            80 
      1  -0.608816D+01 -0.235307D+01 -0.142781D+00 -0.493220D+01  0.136606D+01
      2  -0.235307D+01  0.244879D+01 -0.338039D+01  0.136606D+01 -0.220383D+01
      3  -0.142781D+00 -0.338039D+01  0.264482D+01 -0.893067D+00  0.171167D+01
                81            82            83            84            85 
      1  -0.893067D+00  0.172824D+01  0.160667D+01 -0.165289D+00  0.298293D+01
      2   0.171167D+01  0.160667D+01  0.333392D+01 -0.849073D+00  0.307927D+01
      3   0.353855D+01 -0.165289D+00 -0.849073D+00  0.350748D+00 -0.978554D+00
                86            87            88            89            90 
      1   0.307927D+01 -0.978554D+00  0.103148D+01 -0.145071D-01  0.258806D+00
      2   0.984232D+01 -0.212484D+01 -0.145071D-01  0.433749D+00  0.124991D+01
      3  -0.212484D+01  0.173318D+01  0.258806D+00  0.124991D+01 -0.127787D+01
                91            92            93            94            95 
      1  -0.998151D+00 -0.103350D+00 -0.329713D+00 -0.996882D+00  0.585273D+00
      2  -0.103350D+00  0.232597D+00 -0.177942D-01  0.585273D+00  0.456761D+00
      3  -0.329713D+00 -0.177942D-01 -0.176958D+01 -0.343865D+00 -0.116499D+01
                96            97            98            99           100 
      1  -0.343865D+00 -0.170845D+01  0.899432D-01 -0.255732D+00  0.884240D+00
      2  -0.116499D+01  0.899432D-01 -0.155467D+01  0.107761D+01  0.638899D+00
      3  -0.189095D+01 -0.255732D+00  0.107761D+01 -0.103572D+02  0.794502D+00
               101           102           103           104           105 
      1   0.638899D+00  0.794502D+00  0.603844D+00  0.294044D+00  0.197776D+00
      2  -0.266570D+00  0.296747D+00  0.294044D+00 -0.616852D+00  0.580679D+00
      3   0.296747D+00 -0.468621D+00  0.197776D+00  0.580679D+00 -0.104679D+01
               106           107           108           109           110 
      1   0.253007D+01 -0.361254D+00  0.274425D+01  0.108071D+02  0.289709D+01
      2  -0.361254D+00  0.121012D+01 -0.740480D+00  0.289709D+01  0.188991D+01
      3   0.274425D+01 -0.740480D+00  0.968703D+01  0.495360D+00  0.183007D+00
               111           112           113           114           115 
      1   0.495360D+00  0.526560D+01  0.199616D+01  0.263988D+00 -0.215930D+01
      2   0.183007D+00  0.199616D+01  0.142149D+01 -0.191864D+00 -0.395329D+00
      3   0.110744D+01  0.263988D+00 -0.191864D+00  0.566746D+00  0.144705D+01
               116           117           118           119           120 
      1  -0.395329D+00  0.144705D+01 -0.476145D+00 -0.572595D+00  0.578639D-01
      2  -0.941612D+00  0.250974D+00 -0.572595D+00 -0.289139D+01  0.986732D+00
      3   0.250974D+00  0.498651D+00  0.578639D-01  0.986732D+00 -0.279794D+00
               121           122           123           124           125 
      1  -0.138770D+01 -0.435241D+00  0.425579D+00  0.855253D+00  0.781234D+00
      2  -0.435241D+00 -0.781062D+01  0.110331D+01  0.781234D+00  0.243940D+01
      3   0.425579D+00  0.110331D+01 -0.131266D+01  0.351004D+00 -0.152796D+01
               126           127           128           129           130 
      1   0.351004D+00  0.348478D+01 -0.155403D+01 -0.222046D+01 -0.619679D+00
      2  -0.152796D+01 -0.155403D+01  0.137133D+01  0.167181D+01  0.119687D+01
      3   0.927642D+00 -0.222046D+01  0.167181D+01  0.287624D+01  0.103290D+01
               131           132           133           134           135 
      1   0.119687D+01  0.103290D+01 -0.416859D+01  0.254327D+01  0.351482D+01
      2  -0.252011D+01 -0.142223D+01  0.254327D+01 -0.270775D+01 -0.266107D+01
      3  -0.142223D+01 -0.109767D+01  0.351482D+01 -0.266107D+01 -0.537227D+01
               136           137           138           139           140 
      1   0.999499D+00 -0.103349D+00  0.329655D+00 -0.997347D+00 -0.584985D+00
      2  -0.103349D+00 -0.232089D+00 -0.178153D-01 -0.584985D+00  0.455991D+00
      3   0.329655D+00 -0.178153D-01  0.177192D+01 -0.344355D+00  0.116533D+01
               141           142           143           144           145 
      1  -0.344355D+00  0.170851D+01  0.899445D-01  0.258007D+00 -0.172875D+01
      2   0.116533D+01  0.899445D-01  0.155435D+01  0.107583D+01  0.160655D+01
      3  -0.189200D+01  0.258007D+00  0.107583D+01  0.103558D+02  0.165850D+00
               146           147           148           149           150 
      1   0.160655D+01  0.165850D+00  0.298323D+01 -0.307882D+01 -0.979210D+00
      2  -0.333371D+01 -0.849795D+00 -0.307882D+01  0.984023D+01  0.212649D+01
      3  -0.849795D+00 -0.351147D+00 -0.979210D+00  0.212649D+01  0.173390D+01
               151           152           153           154           155 
      1  -0.103034D+01 -0.151315D-01 -0.258672D+00  0.475715D+00 -0.570934D+00
      2  -0.151315D-01 -0.431249D+00  0.125001D+01 -0.570934D+00  0.288878D+01
      3  -0.258672D+00  0.125001D+01  0.127868D+01 -0.583205D-01  0.987683D+00
               156           157           158           159           160 
      1  -0.583205D-01 -0.138656D+01  0.433290D+00  0.425679D+00 -0.856413D+00
      2   0.987683D+00  0.433290D+00 -0.780981D+01 -0.110640D+01  0.780670D+00
      3   0.280242D+00  0.425679D+00 -0.110640D+01 -0.131384D+01 -0.350900D+00
               161           162           163           164           165 
      1   0.780670D+00 -0.350900D+00 -0.348149D+01 -0.155316D+01  0.221891D+01
      2  -0.244289D+01 -0.152983D+01 -0.155316D+01 -0.137150D+01  0.167194D+01
      3  -0.152983D+01 -0.929881D+00  0.221891D+01  0.167194D+01 -0.287433D+01
               166           167           168           169           170 
      1  -0.620002D+00 -0.119760D+01  0.103331D+01  0.416744D+01  0.254378D+01
      2  -0.119760D+01 -0.252175D+01  0.142262D+01  0.254378D+01  0.270905D+01
      3   0.103331D+01  0.142262D+01 -0.109880D+01 -0.351353D+01 -0.266259D+01
               171           172           173           174           175 
      1  -0.351353D+01 -0.885916D+00  0.639161D+00 -0.794942D+00  0.604741D+00
      2  -0.266259D+01  0.639161D+00  0.265753D+00  0.296205D+00 -0.294414D+00
      3   0.537300D+01 -0.794942D+00  0.296205D+00  0.465849D+00  0.197907D+00
               176           177           178           179           180 
      1  -0.294414D+00  0.197907D+00 -0.253144D+01 -0.360782D+00 -0.274735D+01
      2  -0.616010D+00 -0.580404D+00 -0.360782D+00 -0.120988D+01 -0.737902D+00
      3  -0.580404D+00 -0.104394D+01 -0.274735D+01 -0.737902D+00 -0.968797D+01
               181           182           183           184           185 
      1  -0.108050D+02  0.289765D+01 -0.491844D+00  0.526495D+01 -0.199626D+01
      2   0.289765D+01 -0.188996D+01  0.181865D+00 -0.199626D+01  0.142145D+01
      3  -0.491844D+00  0.181865D+00 -0.110704D+01  0.262502D+00  0.192736D+00
               186           187           188           189 
      1   0.262502D+00  0.216363D+01 -0.396592D+00 -0.144771D+01
      2   0.192736D+00 -0.396592D+00  0.942621D+00  0.251695D+00
      3   0.566959D+00 -0.144771D+01  0.251695D+00 -0.496984D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418463D+01  0.509435D+01 -0.677099D+01  0.527930D+01  0.880794D+01
      2  -0.207045D+01  0.229155D+01  0.216987D+01  0.443818D+01 -0.770016D+01
      3   0.232761D+00  0.418549D+01 -0.685597D+01  0.654923D+01 -0.265681D+01
                 6             7             8             9            10 
      1  -0.802433D+01 -0.351206D+01  0.400619D+01 -0.100411D+02 -0.168327D+00
      2   0.616701D+01 -0.528634D+01  0.221018D+01  0.649976D+01 -0.125997D+01
      3   0.352348D+01 -0.624589D+01  0.252775D+01  0.100693D+01  0.443243D+01
                11            12            13            14            15 
      1   0.105336D+01  0.253756D+01 -0.231543D+01  0.671219D+00 -0.422450D+01
      2  -0.352810D+00  0.405118D+01 -0.213117D+01  0.234536D+01 -0.551182D+01
      3  -0.807894D+01  0.161980D+00  0.131632D+02 -0.355513D+01 -0.202999D+01
                16            17            18            19            20 
      1  -0.720042D+01  0.445312D+01  0.669509D-01  0.160099D-02 -0.230490D+01
      2  -0.951986D+01  0.206586D+01  0.898566D-01 -0.384216D+01 -0.878754D-03
      3  -0.664104D+00 -0.660033D+01  0.300772D+01  0.367376D-04 -0.522372D+01
                21            22            23            24            25 
      1  -0.227310D-03  0.359469D+01 -0.405229D-03 -0.845949D+00 -0.106648D-02
      2   0.619389D+01 -0.210463D-03 -0.577713D+00  0.310314D-03 -0.138008D+02
      3   0.526514D-04  0.141513D+02 -0.267164D-02 -0.430547D+00  0.393877D-03
                26            27            28            29            30 
      1   0.376935D+01  0.206998D-02 -0.364409D+01  0.126077D+01  0.288691D+00
      2  -0.632403D-03  0.118524D+01  0.138733D+02  0.268075D+01  0.896898D+01
      3   0.569972D+01  0.232910D-02  0.100973D+02 -0.282141D+01  0.353035D+00
                31            32            33            34            35 
      1  -0.139526D+01  0.426427D+01  0.654742D+00  0.279223D+01  0.526582D+01
      2   0.461117D+01  0.100918D+02  0.848048D+01 -0.537725D+01  0.434023D+01
      3  -0.246876D+01 -0.916125D+01 -0.100834D+02 -0.307235D+01 -0.930958D+01
                36            37            38            39            40 
      1   0.288375D+01  0.178476D+01 -0.855142D+01 -0.443691D+01 -0.527464D+01
      2  -0.136978D+02 -0.645020D+00 -0.788620D+01 -0.614258D+01 -0.524070D+01
      3  -0.701257D+01  0.803830D+01 -0.892162D+01  0.776603D+01  0.130019D+00
                41            42            43            44            45 
      1  -0.514608D+01 -0.306299D+01 -0.633756D+01  0.616842D+01  0.135445D+01
      2  -0.408037D+01 -0.256941D+01 -0.802473D+01 -0.209984D+01 -0.337127D+00
      3  -0.343452D-02  0.105965D+02  0.905680D+01  0.142779D+02  0.716348D+01
                46            47            48            49            50 
      1  -0.418651D+01  0.509311D+01  0.677626D+01  0.527821D+01 -0.880602D+01
      2  -0.207073D+01 -0.229058D+01  0.217128D+01 -0.443767D+01 -0.769782D+01
      3  -0.233283D+00  0.418077D+01  0.685622D+01  0.654512D+01  0.265481D+01
                51            52            53            54            55 
      1  -0.802774D+01  0.352024D+01  0.400036D+01  0.100352D+02  0.168336D+00
      2  -0.616908D+01 -0.528317D+01 -0.221392D+01  0.649895D+01 -0.126062D+01
      3   0.352241D+01  0.624479D+01  0.252679D+01 -0.100955D+01 -0.443089D+01
                56            57            58            59            60 
      1   0.105294D+01 -0.253783D+01 -0.231733D+01 -0.671720D+00 -0.422392D+01
      2   0.353208D+00  0.405177D+01  0.213084D+01  0.234293D+01  0.551154D+01
      3  -0.807952D+01 -0.161987D+00  0.131645D+02  0.355980D+01 -0.202611D+01
                61            62            63            64            65 
      1   0.720027D+01  0.445245D+01 -0.657429D-01 -0.178217D+01 -0.855078D+01
      2  -0.951842D+01 -0.206272D+01  0.919203D-01 -0.645171D+00  0.789218D+01
      3   0.664835D+00 -0.659841D+01 -0.301135D+01 -0.804540D+01 -0.890498D+01
                66            67            68            69            70 
      1   0.443337D+01 -0.527351D+01  0.514782D+01 -0.305597D+01  0.633581D+01
      2  -0.613627D+01  0.524366D+01 -0.408592D+01  0.256110D+01 -0.802011D+01
      3  -0.777418D+01  0.145301D+00 -0.963005D-02  0.106036D+02 -0.906017D+01
                71            72            73            74            75 
      1   0.617688D+01 -0.135914D+01  0.364197D+01  0.126041D+01 -0.290003D+00
      2   0.208737D+01 -0.324612D+00  0.138757D+02 -0.268764D+01  0.895669D+01
      3   0.142828D+02 -0.714848D+01 -0.100938D+02 -0.282268D+01 -0.345257D+00
                76            77            78            79            80 
      1  -0.139417D+01 -0.426471D+01  0.651876D+00 -0.279432D+01  0.526282D+01
      2  -0.461507D+01  0.100927D+02 -0.846749D+01 -0.539497D+01 -0.432825D+01
      3  -0.247376D+01  0.917371D+01 -0.100862D+02  0.307592D+01 -0.931102D+01
                81            82            83            84            85 
      1  -0.288100D+01 -0.259273D+01 -0.377557D+01 -0.334326D+00 -0.263732D+01
      2  -0.137085D+02  0.197388D+01  0.106604D+01  0.114284D+01  0.270519D+01
      3   0.700219D+01  0.137936D+01 -0.310401D+01  0.860757D+00  0.449600D+01
                86            87            88            89            90 
      1  -0.112068D+02 -0.226252D+01 -0.458538D+00 -0.150554D+01  0.411776D+00
      2   0.182228D+01  0.143386D+01 -0.113436D+00  0.138117D+01 -0.987099D+00
      3  -0.488852D+01  0.543596D+00  0.128795D+01 -0.648910D-01 -0.729115D+00
                91            92            93            94            95 
      1   0.162373D+01  0.743984D-01  0.334956D+01 -0.217496D+00  0.149087D+01
      2  -0.306839D+01 -0.498950D+00 -0.112419D+01 -0.201020D+01 -0.702696D+00
      3  -0.833002D+00 -0.577588D+00 -0.389831D+00 -0.444806D+00  0.592775D-01
                96            97            98            99           100 
      1   0.326391D+01  0.372899D+00  0.365018D+01  0.139332D+02  0.107872D+01
      2  -0.295953D+01 -0.608575D+01  0.114284D+01 -0.111960D+02  0.262668D+01
      3   0.402000D+00 -0.235838D+01  0.114952D+01 -0.147348D+01 -0.150618D+01
               101           102           103           104           105 
      1  -0.516920D-01  0.347200D+00  0.108809D+00 -0.783345D+00 -0.763309D+00
      2   0.333124D+00 -0.155091D+01 -0.326417D+00  0.166797D+01 -0.342550D+01
      3  -0.168156D+00 -0.112324D+01 -0.217801D+00  0.164306D+01 -0.138121D+01
               106           107           108           109           110 
      1  -0.169819D-01  0.415359D+01  0.146599D+01  0.345614D+01  0.181553D+01
      2   0.256628D+01 -0.187076D+01  0.275326D+02 -0.700576D+01 -0.157446D+01
      3   0.740803D+00 -0.380283D+01  0.198617D+01 -0.856400D+01 -0.893979D+01
               111           112           113           114           115 
      1  -0.625349D+00  0.225578D+01  0.125948D+01 -0.115690D+01 -0.504727D+00
      2   0.576224D+01 -0.285794D+01 -0.220418D+01  0.244339D+01  0.483884D+01
      3  -0.670034D+00 -0.377479D+01 -0.462921D+01  0.639687D+00  0.101329D+01
               116           117           118           119           120 
      1   0.350474D+00  0.714812D+00  0.771568D+00  0.274336D+01 -0.167380D+01
      2   0.128599D+01  0.440718D+00  0.562694D+00  0.146281D+01 -0.319349D-01
      3   0.278113D+01 -0.741523D+00  0.263436D+01  0.830595D+01 -0.315832D+01
               121           122           123           124           125 
      1   0.718043D+00  0.456015D+01 -0.513575D+01  0.401853D+00 -0.244469D+01
      2   0.759507D+00  0.186457D+01 -0.209926D+01 -0.251182D+00 -0.297846D+01
      3   0.655659D+01  0.209904D+02 -0.360916D+01 -0.415404D+01 -0.781568D+01
               126           127           128           129           130 
      1   0.262028D+01 -0.347364D+01  0.148921D+01  0.470776D+01  0.131279D+01
      2   0.146829D+01 -0.269493D+01  0.348851D+01  0.738049D+01  0.169087D+01
      3   0.370973D+01 -0.167616D+01 -0.229368D+01 -0.106172D+01 -0.234651D+00
               131           132           133           134           135 
      1  -0.853818D+00 -0.258837D+01  0.449253D+01 -0.954305D+00 -0.816053D+01
      2  -0.281515D+01 -0.266667D+01  0.332531D+01 -0.455150D+01 -0.107782D+02
      3   0.509013D+01  0.198526D+01  0.163280D+00  0.400634D+01  0.146910D+01
               136           137           138           139           140 
      1  -0.162454D+01  0.762444D-01 -0.335229D+01 -0.216471D+00 -0.149213D+01
      2  -0.307230D+01  0.499140D+00 -0.112581D+01  0.201241D+01 -0.703399D+00
      3   0.833972D+00 -0.576913D+00  0.389935D+00 -0.444469D+00 -0.597408D-01
               141           142           143           144           145 
      1   0.326523D+01 -0.376312D+00  0.365291D+01 -0.139290D+02  0.259260D+01
      2   0.296110D+01 -0.608937D+01 -0.114057D+01 -0.111961D+02  0.197464D+01
      3   0.401582D+00  0.235711D+01  0.114809D+01  0.147378D+01 -0.137983D+01
               146           147           148           149           150 
      1  -0.377604D+01  0.333497D+00 -0.263671D+01  0.112054D+02 -0.225959D+01
      2  -0.106575D+01  0.114249D+01 -0.270622D+01  0.182213D+01 -0.143336D+01
      3  -0.310379D+01 -0.861014D+00  0.449568D+01  0.488564D+01  0.543739D+00
               151           152           153           154           155 
      1   0.456990D+00 -0.150161D+01 -0.412525D+00 -0.771352D+00  0.274209D+01
      2  -0.114795D+00 -0.138031D+01 -0.988030D+00  0.564136D+00 -0.146566D+01
      3  -0.128686D+01 -0.632496D-01  0.729442D+00 -0.262990D+01  0.829508D+01
               156           157           158           159           160 
      1   0.167374D+01  0.717280D+00 -0.456011D+01 -0.513805D+01 -0.402069D+00
      2  -0.335348D-01 -0.761845D+00  0.187261D+01  0.210272D+01 -0.252413D+00
      3   0.316165D+01  0.654780D+01 -0.209852D+02 -0.361765D+01  0.415495D+01
               161           162           163           164           165 
      1  -0.244751D+01 -0.262473D+01  0.347232D+01  0.149069D+01 -0.470593D+01
      2   0.298329D+01  0.147284D+01 -0.269445D+01 -0.348996D+01  0.737694D+01
      3  -0.782376D+01 -0.371517D+01  0.167454D+01 -0.229489D+01  0.106440D+01
               166           167           168           169           170 
      1   0.131362D+01  0.854712D+00 -0.259104D+01 -0.449222D+01 -0.957601D+00
      2  -0.169122D+01 -0.281571D+01  0.266918D+01  0.332413D+01  0.455522D+01
      3  -0.235704D+00 -0.509287D+01  0.198525D+01 -0.161439D+00  0.400765D+01
               171           172           173           174           175 
      1   0.816365D+01 -0.107814D+01 -0.499819D-01 -0.347353D+00  0.108966D+00
      2  -0.107814D+02  0.262492D+01 -0.331598D+00 -0.154212D+01  0.326981D+00
      3  -0.147376D+01  0.150745D+01 -0.170712D+00  0.112150D+01 -0.218801D+00
               176           177           178           179           180 
      1   0.782060D+00 -0.762303D+00  0.166988D-01  0.415363D+01 -0.146287D+01
      2   0.166666D+01  0.341680D+01  0.257654D+01  0.186391D+01  0.275355D+02
      3  -0.164102D+01 -0.138012D+01 -0.741224D+00 -0.380334D+01 -0.197904D+01
               181           182           183           184           185 
      1  -0.345490D+01  0.181394D+01  0.627366D+00  0.225519D+01 -0.125882D+01
      2  -0.701030D+01  0.157724D+01  0.576417D+01  0.285984D+01 -0.220596D+01
      3   0.856209D+01 -0.893968D+01  0.665947D+00 -0.377356D+01  0.462851D+01
               186           187           188           189 
      1  -0.115799D+01  0.506612D+00  0.349850D+00 -0.715493D+00
      2  -0.244537D+01  0.484387D+01 -0.128894D+01  0.434181D+00
      3   0.642252D+00 -0.101567D+01  0.278536D+01  0.743158D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883582D+01  0.154607D+02 -0.488791D+01  0.771623D+01 -0.289286D+01
      2  -0.164672D+01 -0.186812D+02  0.127887D+02 -0.115535D+02 -0.161598D+02
      3   0.104825D+02  0.322049D+01 -0.790083D+01  0.383723D+01  0.190527D+02
      4   0.716622D+01 -0.567190D+01 -0.385834D+01 -0.875300D+01 -0.174734D+02
      5  -0.147302D+02 -0.229990D+01  0.132286D+02  0.138698D+01  0.284301D+01
      6  -0.163660D+02  0.834133D+01  0.268059D+01  0.969211D+01 -0.340150D-01
                 6             7             8             9            10 
      1   0.103265D+02  0.751447D+00  0.673549D+01  0.101444D+02  0.135212D+01
      2   0.871298D+00  0.451666D+01 -0.312932D+01  0.133052D+02 -0.256133D+01
      3  -0.111978D+02 -0.526810D+01 -0.360616D+01 -0.234495D+02  0.120921D+01
      4   0.654461D+00 -0.687686D+01 -0.409082D+01  0.811780D+01  0.407999D+01
      5   0.391083D+01  0.105637D+02  0.564325D+01 -0.332950D+01 -0.135876D+02
      6   0.800201D+01  0.522136D+01  0.828649D+01 -0.478873D+01  0.219909D+01
                11            12            13            14            15 
      1   0.673647D+00 -0.630952D+01 -0.155034D+01 -0.135530D+01 -0.568721D+01
      2   0.250734D+01  0.229063D+01  0.510307D+01 -0.281172D+00  0.198711D+01
      3  -0.318098D+01  0.401890D+01 -0.355273D+01  0.163647D+01  0.370010D+01
      4  -0.120266D+01  0.469203D+01 -0.691489D+01  0.879666D+01  0.271748D+01
      5   0.629560D+01 -0.718925D+00 -0.180276D+01  0.107392D+01 -0.335199D+01
      6  -0.222501D+01  0.138015D+01 -0.436845D+01  0.192943D+01 -0.424168D+00
                16            17            18            19            20 
      1  -0.111071D+02 -0.366410D+01 -0.670962D+00 -0.530290D+01 -0.185953D-02
      2   0.594175D+01  0.208980D+01 -0.276837D+01  0.775689D+01 -0.325789D-03
      3   0.516537D+01  0.157429D+01  0.343933D+01 -0.245398D+01  0.218531D-02
      4   0.132527D+01  0.679680D+01 -0.263952D+01 -0.373135D-02 -0.267850D+00
      5  -0.148039D+01 -0.154841D+01  0.419721D+00  0.145067D+02  0.118799D-02
      6   0.519833D+01 -0.136888D+01  0.176943D+01  0.286094D-02  0.284220D+01
                21            22            23            24            25 
      1   0.196364D+01 -0.135792D-02 -0.962740D+00  0.244987D-02 -0.550827D+01
      2  -0.348564D+01 -0.172257D-02  0.406999D+01 -0.115944D-02  0.491027D+00
      3   0.152199D+01  0.308050D-02 -0.310725D+01 -0.129042D-02  0.501725D+01
      4   0.207925D-02 -0.364763D+01  0.182742D-02  0.538653D+00  0.535620D-02
      5  -0.948793D+01  0.548971D-02  0.335667D+00  0.462607D-03 -0.158959D+02
      6  -0.137277D-03  0.787047D+01  0.224937D-03 -0.302101D+01  0.107287D-02
                26            27            28            29            30 
      1  -0.282113D-03 -0.283224D+01 -0.103571D+02 -0.206663D+02  0.175263D+02
      2   0.150654D-02  0.996962D+00  0.365181D+00  0.944137D+01 -0.101817D+02
      3  -0.122443D-02  0.183528D+01  0.999195D+01  0.112249D+02 -0.734452D+01
      4   0.661030D+00 -0.544078D-03 -0.269817D+02 -0.162765D+01 -0.400195D+01
      5  -0.940475D-03  0.475211D+01  0.235537D+02 -0.471443D+01  0.144260D+02
      6  -0.230018D+01 -0.194872D-02 -0.602867D+01  0.501845D+00 -0.328509D+01
                31            32            33            34            35 
      1  -0.305631D+02  0.566953D+01 -0.243929D+00  0.301191D+02  0.316779D+01
      2   0.141235D+02 -0.671525D+01 -0.364762D+01 -0.133523D+02 -0.568031D+01
      3   0.164396D+02  0.104572D+01  0.389154D+01 -0.167668D+02  0.251252D+01
      4   0.662438D+01  0.136017D+02  0.160922D+02  0.289883D+01  0.121612D+02
      5  -0.510505D+01  0.183815D+02  0.113868D+02  0.103295D+02  0.744617D+01
      6  -0.385983D+00  0.263019D+01  0.177475D+01 -0.250188D+01  0.174801D+01
                36            37            38            39            40 
      1   0.197357D+02 -0.334171D+00 -0.554437D+01 -0.661419D+01 -0.412201D+01
      2   0.212306D+01  0.807602D+01 -0.851589D+01  0.501595D+01 -0.819391D+01
      3  -0.218588D+02 -0.774185D+01  0.140603D+02  0.159825D+01  0.123159D+02
      4   0.615998D+01 -0.106777D+02  0.133539D+02 -0.136072D+02  0.173483D+02
      5  -0.148600D+02  0.654654D+01 -0.156582D+02 -0.177483D+02 -0.792337D+01
      6   0.398209D+01 -0.431316D-01  0.889401D+01  0.991181D+01  0.592940D+01
                41            42            43            44            45 
      1   0.123471D+02 -0.120762D+02 -0.670988D+00 -0.212222D+02 -0.137661D+02
      2  -0.422871D+01  0.135006D+02  0.206801D+01  0.185287D+02  0.987131D+01
      3  -0.811840D+01 -0.142444D+01 -0.139702D+01  0.269347D+01  0.389479D+01
      4  -0.214016D+02 -0.366155D+01 -0.183312D+02 -0.299480D+01  0.573926D+01
      5  -0.769484D+01  0.273511D+00 -0.163968D+02  0.263132D+01  0.801551D+01
      6   0.664834D+01 -0.190122D+01  0.122531D+02 -0.426638D+01 -0.359303D+01
                46            47            48            49            50 
      1  -0.883714D+01 -0.154559D+02 -0.488171D+01 -0.771884D+01 -0.288693D+01
      2  -0.165442D+01  0.186741D+02  0.127973D+02  0.115482D+02 -0.161585D+02
      3   0.104916D+02 -0.321824D+01 -0.791555D+01 -0.382939D+01  0.190454D+02
      4  -0.715398D+01 -0.567370D+01  0.385237D+01 -0.875509D+01  0.174731D+02
      5  -0.147279D+02  0.229336D+01  0.132303D+02 -0.139654D+01  0.285194D+01
      6   0.163587D+02  0.834508D+01 -0.267839D+01  0.969823D+01  0.187822D-01
                51            52            53            54            55 
      1  -0.103264D+02  0.759771D+00 -0.673450D+01  0.101412D+02  0.133399D+01
      2  -0.879698D+00  0.452573D+01  0.311540D+01  0.132964D+02 -0.255213D+01
      3   0.112061D+02 -0.528550D+01  0.361910D+01 -0.234376D+02  0.121814D+01
      4   0.664065D+00  0.686994D+01 -0.408036D+01 -0.811935D+01 -0.408306D+01
      5  -0.390523D+01  0.105664D+02 -0.564205D+01 -0.334471D+01 -0.135915D+02
      6   0.799482D+01 -0.522177D+01  0.828033D+01  0.480195D+01 -0.219885D+01
                56            57            58            59            60 
      1  -0.675239D+00 -0.631028D+01  0.155318D+01 -0.135976D+01  0.568506D+01
      2  -0.250511D+01  0.229231D+01 -0.510277D+01 -0.278696D+00 -0.198649D+01
      3   0.318035D+01  0.401797D+01  0.354959D+01  0.163846D+01 -0.369857D+01
      4  -0.119962D+01 -0.469171D+01 -0.691747D+01 -0.880252D+01  0.271314D+01
      5  -0.629367D+01 -0.720495D+00  0.180568D+01  0.107146D+01  0.335195D+01
      6  -0.222544D+01 -0.138021D+01 -0.436656D+01 -0.192593D+01 -0.422696D+00
                61            62            63            64            65 
      1  -0.111119D+02  0.366596D+01 -0.663277D+00 -0.329553D+00  0.556878D+01
      2   0.594397D+01 -0.209182D+01 -0.277155D+01  0.807974D+01  0.849131D+01
      3   0.516794D+01 -0.157415D+01  0.343483D+01 -0.775019D+01 -0.140601D+02
      4  -0.132536D+01  0.679308D+01  0.264617D+01  0.106935D+02  0.133490D+02
      5  -0.147171D+01  0.155498D+01  0.426035D+00  0.653751D+01  0.156656D+02
      6  -0.519659D+01 -0.136707D+01 -0.177105D+01  0.419940D-01  0.890286D+01
                66            67            68            69            70 
      1  -0.662099D+01  0.413880D+01  0.123341D+02  0.120859D+02 -0.678891D+00
      2   0.502944D+01  0.817526D+01 -0.421443D+01 -0.135099D+02  0.207894D+01
      3   0.159155D+01 -0.123141D+02 -0.811970D+01  0.142399D+01 -0.140005D+01
      4   0.136140D+02  0.173411D+02  0.213994D+02 -0.365996D+01  0.183339D+02
      5  -0.177343D+02  0.792838D+01 -0.769481D+01 -0.285729D+00 -0.163850D+02
      6  -0.990584D+01  0.593606D+01 -0.665439D+01 -0.191525D+01 -0.122494D+02
                71            72            73            74            75 
      1   0.212270D+02 -0.137419D+02 -0.103175D+02  0.206646D+02  0.175529D+02
      2  -0.185344D+02  0.985245D+01  0.343483D+00 -0.943822D+01 -0.101895D+02
      3  -0.269259D+01  0.388941D+01  0.997405D+01 -0.112264D+02 -0.736337D+01
      4  -0.299322D+01 -0.575303D+01  0.269773D+02 -0.163312D+01  0.398663D+01
      5  -0.264800D+01  0.802984D+01  0.235828D+02  0.469777D+01  0.144115D+02
      6  -0.428263D+01  0.360267D+01  0.602111D+01  0.500402D+00  0.327895D+01
                76            77            78            79            80 
      1   0.305545D+02  0.567281D+01  0.226495D+00  0.301466D+02 -0.318446D+01
      2  -0.141160D+02 -0.671559D+01  0.365042D+01 -0.133580D+02  0.568144D+01
      3  -0.164386D+02  0.104278D+01 -0.387692D+01 -0.167887D+02 -0.249698D+01
      4   0.662510D+01 -0.136191D+02  0.160936D+02 -0.291357D+01  0.121618D+02
      5   0.508477D+01  0.183830D+02 -0.113743D+02  0.103011D+02 -0.743558D+01
      6  -0.385926D+00 -0.263420D+01  0.177784D+01  0.249731D+01  0.175036D+01
                81            82            83            84            85 
      1   0.197094D+02  0.355121D+01 -0.350035D+01  0.162328D+01 -0.253761D+01
      2   0.214328D+01  0.467030D+01  0.110780D+02 -0.282765D+01  0.108177D+02
      3  -0.218527D+02 -0.822151D+01 -0.757765D+01  0.120437D+01 -0.828011D+01
      4  -0.614947D+01  0.107889D+02  0.181254D+02 -0.337019D+01  0.166994D+02
      5  -0.148936D+02 -0.266495D+01 -0.498645D+01  0.365645D+01 -0.569948D+01
      6  -0.397452D+01 -0.260046D+01 -0.735406D+01  0.362747D+01 -0.810126D+01
                86            87            88            89            90 
      1  -0.239409D+02  0.669364D+01  0.263352D+01  0.106551D+01 -0.604743D+01
      2   0.463572D+02 -0.698612D+01 -0.690345D+00  0.366988D+01  0.222347D+01
      3  -0.224163D+02  0.292479D+00 -0.194318D+01 -0.473539D+01  0.382396D+01
      4   0.319131D+02 -0.749037D+01  0.167518D+01  0.998832D+00  0.380899D+01
      5  -0.857244D+01  0.510695D+01  0.159192D+01  0.335112D+01 -0.224741D+01
      6  -0.218340D+02  0.115400D+02  0.192796D+01  0.723628D+01 -0.413071D+01
                91            92            93            94            95 
      1  -0.536842D+00 -0.342868D+00 -0.523238D+01 -0.302197D+01 -0.408208D+01
      2  -0.259028D+01  0.115034D+01 -0.363526D+01  0.227474D+01  0.175919D+01
      3   0.312712D+01 -0.807476D+00  0.886764D+01  0.747231D+00  0.232289D+01
      4  -0.116170D+01  0.214660D+01 -0.157852D+01  0.262022D+01  0.209871D+01
      5   0.203923D+01 -0.309056D+00  0.495885D+01  0.161838D+01 -0.197545D+01
      6   0.486479D+00  0.102285D+00 -0.337455D+01 -0.155865D+01 -0.885970D+00
                96            97            98            99           100 
      1  -0.426551D+01 -0.272471D+01  0.554721D+01 -0.326269D+02  0.654338D+01
      2  -0.660176D+01  0.547355D-01 -0.222274D+01 -0.220936D+02 -0.574077D+01
      3   0.108673D+02  0.266997D+01 -0.332447D+01  0.547206D+02 -0.802607D+00
      4  -0.198181D+01 -0.165444D+01 -0.283308D+01  0.703238D+00  0.305614D+01
      5  -0.226591D+01  0.571813D+01  0.130864D+01 -0.106725D+02  0.412190D+01
      6   0.533731D+01 -0.508607D+00  0.876432D+01 -0.165769D+02 -0.173578D+00
               101           102           103           104           105 
      1   0.221419D+01  0.665267D+01  0.406820D+01 -0.270403D+01  0.288929D+01
      2  -0.113904D+01 -0.216207D+01 -0.194304D+01  0.414386D+00  0.670360D+00
      3  -0.107515D+01 -0.449061D+01 -0.212516D+01  0.228964D+01 -0.355965D+01
      4   0.562713D+00  0.482334D+00  0.331890D+01 -0.293234D+01  0.269388D+01
      5   0.124601D+01  0.362158D+01  0.770680D+00  0.250237D+01 -0.479998D+01
      6  -0.798655D+00  0.517919D+00  0.138089D+01 -0.202931D+01  0.678114D+01
               106           107           108           109           110 
      1   0.647265D+01  0.136041D+01 -0.129648D+02  0.799761D+02  0.201278D+02
      2  -0.109311D+02  0.621504D+00 -0.226301D+02 -0.390617D+02 -0.942548D+01
      3   0.445841D+01 -0.198191D+01  0.355949D+02 -0.409145D+02 -0.107023D+02
      4  -0.152898D+01  0.624659D+01 -0.287082D+01  0.238988D+02  0.158153D+02
      5   0.195210D+02 -0.348479D+01  0.485790D+02  0.666381D+01  0.244514D+01
      6  -0.193873D+01  0.597464D+01 -0.722702D+01  0.288231D+01  0.169755D+01
               111           112           113           114           115 
      1   0.185274D+01  0.328057D+02  0.123492D+02  0.130835D+01 -0.150624D+02
      2  -0.218727D+01 -0.145352D+02 -0.280600D+01 -0.154788D+01  0.599184D+01
      3   0.334536D+00 -0.182704D+02 -0.954320D+01  0.239528D+00  0.907054D+01
      4   0.155123D+01  0.184512D+02  0.119855D+02 -0.868567D+00 -0.354493D+01
      5   0.100360D+02  0.410449D+01 -0.901013D+00  0.420372D+01  0.115813D+02
      6   0.748169D+00  0.185119D+01  0.104797D+01  0.175328D+01  0.464298D+00
               116           117           118           119           120 
      1  -0.289014D+01  0.637452D+01 -0.384912D+01 -0.971294D+01  0.231035D+01
      2   0.124042D+01 -0.576920D+01  0.420305D+01  0.141737D+02 -0.263659D+01
      3   0.164972D+01 -0.605322D+00 -0.353925D+00 -0.446076D+01  0.326242D+00
      4  -0.522217D+01  0.240417D+01  0.179581D+01 -0.297436D+01  0.202946D+01
      5   0.242580D+01  0.192287D+01 -0.512619D+00  0.328189D+01  0.565227D+00
      6   0.172363D+01 -0.794580D+00 -0.147197D+01 -0.315294D+01  0.170543D+01
               121           122           123           124           125 
      1  -0.638980D+01 -0.261336D+02  0.518890D+01  0.402302D+01  0.111244D+02
      2   0.543632D+01  0.407256D+02 -0.689676D+01 -0.295639D+01 -0.133251D+02
      3   0.953487D+00 -0.145920D+02  0.170786D+01 -0.106663D+01  0.220070D+01
      4   0.433253D+01 -0.202428D+02  0.168620D+01  0.113202D+01  0.518586D+01
      5   0.204996D+01  0.312664D+01 -0.534321D+01  0.391184D+01 -0.502135D+01
      6  -0.165384D+01 -0.663813D+01  0.743323D+01 -0.745967D+00  0.934875D+01
               126           127           128           129           130 
      1  -0.420889D+01  0.173344D+02 -0.452335D+01 -0.691510D+01 -0.253512D+00
      2   0.415751D+01 -0.106857D+02  0.173766D+01  0.478148D+01 -0.149677D+01
      3   0.513828D-01 -0.664875D+01  0.278570D+01  0.213361D+01  0.175028D+01
      4  -0.411051D+01 -0.145722D+02  0.116611D+02  0.121917D+02  0.974669D+01
      5   0.205317D+01 -0.179429D+02  0.110153D+02  0.201619D+02  0.629530D+01
      6  -0.463835D+01  0.857161D+01 -0.742818D+01 -0.942274D+01 -0.598065D+01
               131           132           133           134           135 
      1  -0.214691D+01  0.755342D+00 -0.121763D+02  0.295946D+01  0.381551D+01
      2   0.564118D+01  0.138115D+01  0.861514D+01 -0.533090D+00 -0.105422D+02
      3  -0.349428D+01 -0.213649D+01  0.356117D+01 -0.242637D+01  0.672670D+01
      4  -0.131945D+02 -0.937010D+01  0.182976D+02 -0.165795D+02 -0.171184D+02
      5  -0.895302D+01 -0.678062D+01  0.242528D+02 -0.159339D+02 -0.315146D+02
      6   0.709048D+01  0.865738D+01 -0.130795D+02  0.137584D+02  0.187336D+02
               136           137           138           139           140 
      1  -0.537530D+00  0.342006D+00 -0.523816D+01  0.302331D+01 -0.408237D+01
      2  -0.258971D+01 -0.114882D+01 -0.364086D+01 -0.227318D+01  0.175757D+01
      3   0.312724D+01  0.806817D+00  0.887902D+01 -0.750124D+00  0.232480D+01
      4   0.116190D+01  0.214517D+01  0.157761D+01  0.262039D+01 -0.209712D+01
      5   0.204296D+01  0.308620D+00  0.495766D+01 -0.161814D+01 -0.197504D+01
      6  -0.486954D+00  0.103342D+00  0.337574D+01 -0.155832D+01  0.883221D+00
               141           142           143           144           145 
      1   0.427058D+01 -0.272933D+01 -0.554099D+01 -0.326257D+02  0.355173D+01
      2   0.660255D+01  0.493421D-01  0.222469D+01 -0.220931D+02  0.466863D+01
      3  -0.108731D+02  0.267999D+01  0.331630D+01  0.547189D+02 -0.822035D+01
      4  -0.198174D+01  0.165309D+01 -0.283155D+01 -0.699627D+00 -0.107894D+02
      5   0.226539D+01  0.571557D+01 -0.130617D+01 -0.106599D+02 -0.266853D+01
      6   0.533814D+01  0.511574D+00  0.876036D+01  0.165599D+02  0.260417D+01
               146           147           148           149           150 
      1   0.350097D+01  0.162356D+01  0.253721D+01 -0.239376D+02 -0.669831D+01
      2  -0.110748D+02 -0.282860D+01 -0.108126D+02  0.463396D+02  0.699125D+01
      3   0.757379D+01  0.120504D+01  0.827544D+01 -0.224021D+02 -0.292940D+00
      4   0.181232D+02  0.337414D+01  0.166958D+02 -0.319036D+02 -0.749536D+01
      5   0.499021D+01  0.365827D+01  0.570266D+01 -0.857770D+01 -0.511005D+01
      6  -0.735778D+01 -0.362996D+01 -0.810551D+01  0.218447D+02  0.115456D+02
               151           152           153           154           155 
      1   0.263247D+01 -0.107124D+01 -0.604933D+01 -0.384242D+01  0.970196D+01
      2  -0.692711D+00 -0.365948D+01  0.222323D+01  0.419426D+01 -0.141588D+02
      3  -0.193976D+01  0.473072D+01  0.382610D+01 -0.351840D+00  0.445682D+01
      4  -0.167099D+01  0.990445D+00 -0.380955D+01 -0.179657D+01 -0.297199D+01
      5   0.159228D+01 -0.335227D+01 -0.224928D+01 -0.512092D+00 -0.328321D+01
      6  -0.192896D+01  0.723930D+01  0.413483D+01  0.147441D+01 -0.315907D+01
               156           157           158           159           160 
      1   0.231543D+01  0.638304D+01 -0.261244D+02 -0.519945D+01  0.402707D+01
      2  -0.264132D+01 -0.542665D+01  0.407132D+02  0.690991D+01 -0.295751D+01
      3   0.325887D+00 -0.956398D+00 -0.145888D+02 -0.171045D+01 -0.106956D+01
      4  -0.203003D+01  0.433607D+01  0.202502D+02  0.169470D+01 -0.112791D+01
      5   0.563940D+00 -0.204862D+01  0.313547D+01  0.534774D+01  0.391133D+01
      6  -0.170638D+01 -0.165455D+01  0.665790D+01  0.743985D+01  0.746200D+00
               161           162           163           164           165 
      1  -0.111338D+02 -0.421647D+01  0.173170D+02  0.451845D+01 -0.690797D+01
      2   0.133363D+02  0.416316D+01 -0.106738D+02 -0.173229D+01  0.477217D+01
      3  -0.220257D+01  0.533139D-01 -0.664316D+01 -0.278617D+01  0.213580D+01
      4   0.519837D+01  0.411671D+01  0.145647D+02  0.116613D+02 -0.121908D+02
      5   0.502783D+01  0.206079D+01 -0.179287D+02 -0.110148D+02  0.201502D+02
      6   0.935847D+01  0.464927D+01 -0.856866D+01 -0.742841D+01  0.941918D+01
               166           167           168           169           170 
      1   0.253172D+00 -0.214925D+01 -0.754949D+00 -0.121693D+02 -0.295608D+01
      2   0.149936D+01  0.564626D+01 -0.138187D+01  0.860498D+01  0.529298D+00
      3  -0.175254D+01 -0.349701D+01  0.213682D+01  0.356428D+01  0.242678D+01
      4   0.974977D+01  0.132038D+02 -0.937218D+01 -0.182982D+02 -0.165857D+02
      5  -0.629710D+01 -0.895483D+01  0.678580D+01  0.242428D+02  0.159403D+02
      6  -0.598206D+01 -0.709476D+01  0.866216D+01  0.130788D+02  0.137662D+02
               171           172           173           174           175 
      1   0.380411D+01  0.655080D+01 -0.221824D+01  0.664952D+01 -0.407178D+01
      2  -0.105306D+02 -0.574674D+01  0.114061D+01 -0.216776D+01  0.194532D+01
      3   0.672649D+01 -0.804060D+00  0.107763D+01 -0.448176D+01  0.212647D+01
      4   0.171232D+02 -0.305758D+01  0.566429D+00 -0.481789D+00  0.332101D+01
      5  -0.315130D+02  0.412825D+01 -0.124489D+01  0.363553D+01 -0.772335D+00
      6  -0.187409D+02  0.172477D+00 -0.796660D+00 -0.514711D+00  0.138210D+01
               176           177           178           179           180 
      1  -0.270022D+01 -0.288167D+01  0.647536D+01 -0.135425D+01 -0.129464D+02
      2   0.412083D+00 -0.668870D+00 -0.109412D+02 -0.618896D+00 -0.226422D+02
      3   0.228814D+01  0.355054D+01  0.446589D+01  0.197315D+01  0.355886D+02
      4   0.292909D+01  0.269442D+01  0.152549D+01  0.624748D+01  0.285948D+01
      5   0.250313D+01  0.478733D+01  0.195411D+02  0.347322D+01  0.486001D+02
      6   0.202379D+01  0.677764D+01  0.193562D+01  0.597147D+01  0.720912D+01
               181           182           183           184           185 
      1   0.799647D+02 -0.201321D+02  0.182842D+01 -0.328028D+02  0.123495D+02
      2  -0.390520D+02  0.942565D+01 -0.217399D+01  0.145314D+02 -0.280478D+01
      3  -0.409128D+02  0.107065D+02  0.345569D+00  0.182714D+02 -0.954473D+01
      4  -0.239060D+02  0.158178D+02 -0.154295D+01  0.184536D+02 -0.119864D+02
      5   0.662910D+01 -0.243593D+01  0.100320D+02 -0.408937D+01 -0.908965D+00
      6  -0.287691D+01  0.169532D+01 -0.747429D+00  0.184671D+01 -0.104428D+01
               186           187           188           189 
      1  -0.129889D+01 -0.150922D+02  0.289863D+01  0.637957D+01
      2   0.154354D+01  0.600716D+01 -0.124384D+01 -0.577086D+01
      3  -0.244651D+00  0.908501D+01 -0.165479D+01 -0.608712D+00
      4  -0.875746D+00  0.355575D+01 -0.523024D+01 -0.240815D+01
      5  -0.420346D+01  0.115855D+02 -0.242948D+01  0.191071D+01
      6   0.175308D+01 -0.464598D+00  0.172320D+01  0.794993D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 19:56:12 2021, MaxMem= 10737418240 cpu:           29385.0 elap:            1839.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44775 -10.44721 -10.44702 -10.43545 -10.43544
 Alpha  occ. eigenvalues --  -10.43534 -10.43534 -10.43505 -10.43505  -1.04336
 Alpha  occ. eigenvalues --   -1.00091  -0.94366  -0.89199  -0.73345  -0.73149
 Alpha  occ. eigenvalues --   -0.70542  -0.68397  -0.63654  -0.61358  -0.59334
 Alpha  occ. eigenvalues --   -0.59154  -0.56456  -0.55988  -0.48572  -0.47098
 Alpha  occ. eigenvalues --   -0.47012  -0.44693  -0.42427  -0.40414  -0.40132
 Alpha  occ. eigenvalues --   -0.36129  -0.35613  -0.35383
 Alpha virt. eigenvalues --   -0.01011  -0.00318  -0.00143  -0.00120   0.01338
 Alpha virt. eigenvalues --    0.01649   0.01668   0.01924   0.02522   0.03983
 Alpha virt. eigenvalues --    0.04347   0.04481   0.06024   0.06399   0.06554
 Alpha virt. eigenvalues --    0.07077   0.08759   0.09214   0.09576   0.10287
 Alpha virt. eigenvalues --    0.10734   0.10917   0.11365   0.12222   0.12334
 Alpha virt. eigenvalues --    0.12701   0.12993   0.13501   0.13516   0.14211
 Alpha virt. eigenvalues --    0.14439   0.14645   0.14977   0.15911   0.16751
 Alpha virt. eigenvalues --    0.16891   0.17131   0.17744   0.18343   0.18898
 Alpha virt. eigenvalues --    0.20005   0.20726   0.21566   0.21956   0.22776
 Alpha virt. eigenvalues --    0.23361   0.23749   0.24554   0.25112   0.26476
 Alpha virt. eigenvalues --    0.27771   0.28802   0.29682   0.29923   0.30499
 Alpha virt. eigenvalues --    0.30662   0.32276   0.32468   0.33243   0.33960
 Alpha virt. eigenvalues --    0.34313   0.34901   0.35141   0.36813   0.37214
 Alpha virt. eigenvalues --    0.38031   0.38589   0.39063   0.39354   0.40199
 Alpha virt. eigenvalues --    0.40304   0.40631   0.40758   0.41502   0.42388
 Alpha virt. eigenvalues --    0.42485   0.43175   0.43399   0.44469   0.44627
 Alpha virt. eigenvalues --    0.45721   0.46777   0.47042   0.47486   0.49382
 Alpha virt. eigenvalues --    0.49924   0.50183   0.50604   0.51389   0.52313
 Alpha virt. eigenvalues --    0.52322   0.52529   0.52810   0.53027   0.54470
 Alpha virt. eigenvalues --    0.54602   0.55045   0.55534   0.56588   0.57213
 Alpha virt. eigenvalues --    0.57448   0.58241   0.59261   0.59399   0.60025
 Alpha virt. eigenvalues --    0.61029   0.61956   0.62096   0.62431   0.63323
 Alpha virt. eigenvalues --    0.63481   0.64905   0.65989   0.66771   0.67712
 Alpha virt. eigenvalues --    0.67795   0.68152   0.68803   0.69343   0.70108
 Alpha virt. eigenvalues --    0.70756   0.70854   0.71808   0.71986   0.72539
 Alpha virt. eigenvalues --    0.73054   0.73576   0.74733   0.74892   0.75272
 Alpha virt. eigenvalues --    0.75513   0.76142   0.77543   0.78356   0.78754
 Alpha virt. eigenvalues --    0.78905   0.79943   0.80303   0.81418   0.83937
 Alpha virt. eigenvalues --    0.84133   0.86563   0.87485   0.88913   0.91566
 Alpha virt. eigenvalues --    0.93705   0.94235   0.96517   0.98396   0.98995
 Alpha virt. eigenvalues --    0.99306   1.01285   1.01769   1.03079   1.05790
 Alpha virt. eigenvalues --    1.06390   1.07005   1.07026   1.07074   1.08431
 Alpha virt. eigenvalues --    1.09549   1.10845   1.12408   1.13094   1.14976
 Alpha virt. eigenvalues --    1.15832   1.16555   1.19126   1.19132   1.20419
 Alpha virt. eigenvalues --    1.21916   1.25809   1.26420   1.27568   1.32340
 Alpha virt. eigenvalues --    1.33820   1.36263   1.37269   1.43647   1.43917
 Alpha virt. eigenvalues --    1.44236   1.48645   1.51301   1.53143   1.53728
 Alpha virt. eigenvalues --    1.56442   1.56519   1.57810   1.58915   1.61118
 Alpha virt. eigenvalues --    1.61363   1.62118   1.63456   1.65539   1.66761
 Alpha virt. eigenvalues --    1.67240   1.68170   1.70138   1.71476   1.76322
 Alpha virt. eigenvalues --    1.78964   1.79141   1.79651   1.81099   1.82330
 Alpha virt. eigenvalues --    1.83691   1.84658   1.86506   1.86994   1.88159
 Alpha virt. eigenvalues --    1.89219   1.89918   1.90339   1.92883   1.94245
 Alpha virt. eigenvalues --    1.95711   1.96089   1.99196   1.99598   2.01102
 Alpha virt. eigenvalues --    2.02805   2.03851   2.04107   2.05959   2.07131
 Alpha virt. eigenvalues --    2.07256   2.07423   2.09370   2.11306   2.11979
 Alpha virt. eigenvalues --    2.12333   2.14613   2.15423   2.17603   2.19690
 Alpha virt. eigenvalues --    2.20606   2.23332   2.24172   2.26479   2.27760
 Alpha virt. eigenvalues --    2.28689   2.28961   2.31584   2.32605   2.37008
 Alpha virt. eigenvalues --    2.38366   2.40048   2.41320   2.44260   2.45187
 Alpha virt. eigenvalues --    2.48036   2.49647   2.49923   2.50949   2.55384
 Alpha virt. eigenvalues --    2.57087   2.57439   2.57689   2.59008   2.60937
 Alpha virt. eigenvalues --    2.61605   2.69277   2.69820   2.72603   2.73242
 Alpha virt. eigenvalues --    2.75664   2.79835   2.89651   2.90521   2.90606
 Alpha virt. eigenvalues --    2.98706   2.99984   3.00233   3.05326   3.07151
 Alpha virt. eigenvalues --    3.09010   3.17831   3.46422   3.48786   3.82844
 Alpha virt. eigenvalues --    4.03481   4.04519
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.692656   0.472724   0.677844  -1.194957  -0.793742  -0.512624
     2  C    0.472724  13.891604  -3.489096  -0.466826  -0.102523  -1.764509
     3  C    0.677844  -3.489096  15.950407  -1.498958  -1.515025   0.677210
     4  C   -1.194957  -0.466826  -1.498958   8.171386   1.171576  -0.632408
     5  C   -0.793742  -0.102523  -1.515025   1.171576   7.999425  -0.134167
     6  C   -0.512624  -1.764509   0.677210  -0.632408  -0.134167   9.691817
     7  C   -1.765562  -1.932390  -3.491545   0.015828  -0.741286   0.473358
     8  C   -0.134097  -0.741106  -1.515800  -0.079105  -0.162864  -0.793647
     9  C   -0.632136   0.016105  -1.499592   0.113876  -0.078987  -1.194912
    10  H   -0.242259   0.002136   0.108260  -0.151418   0.108330  -0.107100
    11  H    0.018156   0.024487   0.055520   0.092319  -0.185793   0.098089
    12  H    0.052799  -0.206080  -0.010659   0.030158   0.054671  -0.057444
    13  H   -0.105133   0.040158   0.261374  -0.229304  -0.089301   0.045372
    14  H    0.026368  -0.200707   0.033134   0.050086  -0.010679   0.027603
    15  H   -0.081083  -0.002992   0.254887  -0.053811  -0.228267   0.008278
    16  H    0.098131  -0.086501   0.055275  -0.028559  -0.018478   0.018209
    17  H   -0.107087   0.221472   0.108455   0.015041   0.014654  -0.242266
    18  H    0.027669  -0.027850   0.033412   0.006461  -0.026595   0.026403
    19  H    0.008270   0.051267   0.254947  -0.009400   0.028593  -0.081147
    20  H   -0.057378   0.042177  -0.010471  -0.000546   0.029151   0.052897
    21  H    0.045344   0.014692   0.261395   0.003141   0.001956  -0.105235
               7          8          9         10         11         12
     1  C   -1.765562  -0.134097  -0.632136  -0.242259   0.018156   0.052799
     2  C   -1.932390  -0.741106   0.016105   0.002136   0.024487  -0.206080
     3  C   -3.491545  -1.515800  -1.499592   0.108260   0.055520  -0.010659
     4  C    0.015828  -0.079105   0.113876  -0.151418   0.092319   0.030158
     5  C   -0.741286  -0.162864  -0.078987   0.108330  -0.185793   0.054671
     6  C    0.473358  -0.793647  -1.194912  -0.107100   0.098089  -0.057444
     7  C   13.893054  -0.101317  -0.466174   0.221479  -0.086427   0.042251
     8  C   -0.101317   7.999406   1.171126   0.014654  -0.018471   0.029164
     9  C   -0.466174   1.171126   8.171242   0.015043  -0.028534  -0.000531
    10  H    0.221479   0.014654   0.015043   1.810036  -0.477977   0.018161
    11  H   -0.086427  -0.018471  -0.028534  -0.477977   1.853251  -0.002189
    12  H    0.042251   0.029164  -0.000531   0.018161  -0.002189   1.924605
    13  H    0.014683   0.001956   0.003133  -0.022745   0.020442  -0.462804
    14  H   -0.027822  -0.026626   0.006464  -0.002403   0.009497  -0.115427
    15  H    0.051245   0.028591  -0.009390   0.020813  -0.022479   0.117472
    16  H    0.024542  -0.185822   0.092362   0.007851   0.002315  -0.032386
    17  H    0.001932   0.108382  -0.151505  -0.004642   0.007850   0.013864
    18  H   -0.200673  -0.011013   0.049896  -0.001464   0.015146   0.005840
    19  H   -0.003166  -0.228157  -0.053740   0.002283  -0.004263   0.001795
    20  H   -0.205907   0.054504   0.029966   0.013849  -0.032319  -0.000817
    21  H    0.039909  -0.089291  -0.229065   0.001110   0.013942   0.000111
              13         14         15         16         17         18
     1  C   -0.105133   0.026368  -0.081083   0.098131  -0.107087   0.027669
     2  C    0.040158  -0.200707  -0.002992  -0.086501   0.221472  -0.027850
     3  C    0.261374   0.033134   0.254887   0.055275   0.108455   0.033412
     4  C   -0.229304   0.050086  -0.053811  -0.028559   0.015041   0.006461
     5  C   -0.089301  -0.010679  -0.228267  -0.018478   0.014654  -0.026595
     6  C    0.045372   0.027603   0.008278   0.018209  -0.242266   0.026403
     7  C    0.014683  -0.027822   0.051245   0.024542   0.001932  -0.200673
     8  C    0.001956  -0.026626   0.028591  -0.185822   0.108382  -0.011013
     9  C    0.003133   0.006464  -0.009390   0.092362  -0.151505   0.049896
    10  H   -0.022745  -0.002403   0.020813   0.007851  -0.004642  -0.001464
    11  H    0.020442   0.009497  -0.022479   0.002315   0.007850   0.015146
    12  H   -0.462804  -0.115427   0.117472  -0.032386   0.013864   0.005840
    13  H    1.825790   0.115601  -0.072073   0.013961   0.001109   0.000885
    14  H    0.115601   2.015118  -0.473589   0.015154  -0.001469  -0.025485
    15  H   -0.072073  -0.473589   1.821497  -0.004270   0.002284   0.009454
    16  H    0.013961   0.015154  -0.004270   1.853801  -0.478180   0.009495
    17  H    0.001109  -0.001469   0.002284  -0.478180   1.810264  -0.002407
    18  H    0.000885  -0.025485   0.009454   0.009495  -0.002407   2.015250
    19  H   -0.000388   0.009458   0.003381  -0.022471   0.020818  -0.473559
    20  H    0.000110   0.005842   0.001792  -0.002167   0.018158  -0.115441
    21  H    0.000042   0.000887  -0.000388   0.020444  -0.022780   0.115606
              19         20         21
     1  C    0.008270  -0.057378   0.045344
     2  C    0.051267   0.042177   0.014692
     3  C    0.254947  -0.010471   0.261395
     4  C   -0.009400  -0.000546   0.003141
     5  C    0.028593   0.029151   0.001956
     6  C   -0.081147   0.052897  -0.105235
     7  C   -0.003166  -0.205907   0.039909
     8  C   -0.228157   0.054504  -0.089291
     9  C   -0.053740   0.029966  -0.229065
    10  H    0.002283   0.013849   0.001110
    11  H   -0.004263  -0.032319   0.013942
    12  H    0.001795  -0.000817   0.000111
    13  H   -0.000388   0.000110   0.000042
    14  H    0.009458   0.005842   0.000887
    15  H    0.003381   0.001792  -0.000388
    16  H   -0.022471  -0.002167   0.020444
    17  H    0.020818   0.018158  -0.022780
    18  H   -0.473559  -0.115441   0.115606
    19  H    1.821411   0.117439  -0.072004
    20  H    0.117439   1.924419  -0.462695
    21  H   -0.072004  -0.462695   1.825687
 Mulliken charges:
               1
     1  C    0.506099
     2  C    0.243760
     3  C    0.299029
     4  C    0.675420
     5  C    0.679351
     6  C    0.506224
     7  C    0.243986
     8  C    0.679535
     9  C    0.675352
    10  H   -0.333996
    11  H   -0.352562
    12  H   -0.402556
    13  H   -0.362868
    14  H   -0.431004
    15  H   -0.371352
    16  H   -0.352705
    17  H   -0.333947
    18  H   -0.431032
    19  H   -0.371366
    20  H   -0.402561
    21  H   -0.362807
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.180459
     2  C    0.243760
     3  C    0.299029
     4  C   -0.090003
     5  C   -0.123005
     6  C   -0.180428
     7  C    0.243986
     8  C   -0.122864
     9  C   -0.090016
 Electronic spatial extent (au):  <R**2>=           1250.4488
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0038    Z=             -0.0000  Tot=              0.0038
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.1351   YY=            -54.7568   ZZ=            -53.5438
   XY=              0.0006   XZ=             -0.9338   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6565   YY=             -0.2782   ZZ=              0.9348
   XY=              0.0006   XZ=             -0.9338   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0020  YYY=              0.9542  ZZZ=             -0.0009  XYY=             -0.0016
  XXY=              5.8520  XXZ=             -0.0002  XZZ=             -0.0005  YZZ=             -1.4644
  YYZ=             -0.0006  XYZ=              0.9535
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1126.5768 YYYY=           -346.3711 ZZZZ=           -244.9153 XXXY=             -0.0011
 XXXZ=            -15.2438 YYYX=              0.0084 YYYZ=              0.0053 ZZZX=              3.0735
 ZZZY=             -0.0041 XXYY=           -257.6025 XXZZ=           -229.1480 YYZZ=           -105.8243
 XXYZ=              0.0038 YYXZ=             -7.4751 ZZXY=              0.0001
 N-N= 4.312966651839D+02 E-N=-1.672395145728D+03  KE= 3.476029143944D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 19:56:13 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7357   -0.7427       -0.0002   -0.0001
 2      0.7357    0.7427       -0.0001   -0.0001      -11.6028  -11.5957
 3      0.0002    0.0001       14.2122   14.2063        0.0000    0.0001
 4      0.0001    0.0001        0.0000    0.0000        0.0002    0.0001
 5     -2.6093   -2.6106       -0.0002   -0.0001       -0.7450   -0.7427
 6     -0.0000   -0.0001        0.7450    0.7427       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.2281    2.2281       -0.0004   -0.0004
 2      0.0002    0.0002        0.0000    0.0000       -0.0004   -0.0004
 3      0.0002    0.0002        2.2281    2.2281        0.0000    0.0000
 4      2.2281    2.2281       -0.0002   -0.0002      -34.7872  -34.7872
 5      0.0004    0.0004       42.6190   42.6190        0.0002    0.0002
 6     -7.8318   -7.8318       -0.0004   -0.0004       -2.2281   -2.2281
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0001    0.0000        2.9059    2.9708        0.0007    0.0006
 2     -2.7263   -2.9708       -0.0003    0.0002       46.6055   46.3829
 3      0.0006   -0.0006      -57.0272  -56.8253        0.0006   -0.0002
 4     -0.0007   -0.0002       -0.0811    0.0000       -0.0006   -0.0006
 5     11.1818   10.4424        0.0004    0.0006        3.0103    2.9708
 6      0.0006    0.0002       -2.9229   -2.9708       -0.0002    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0007    0.0000       27.4728   27.3958        0.0043    0.0022
 2    -28.4183  -27.3958        0.0015    0.0027       21.0911   21.5068
 3     -0.0025   -0.0022      -24.9836  -23.6517       -0.0038   -0.0027
 4     -0.0030   -0.0027        0.1949    0.0000       -0.0027   -0.0022
 5      1.3741    2.1449       -0.0008    0.0022       26.2690   27.3958
 6      0.0021    0.0027      -27.2458  -27.3958        0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0082   -0.0072       45.6839   45.4826        0.0091    0.0101
 2     -0.0138   -0.0137       60.5222   60.1035        0.0090    0.0101
 3     -0.0152   -0.0137       46.1407   45.4826        0.0066    0.0073
 4    -15.4964  -14.6208        0.0050    0.0065        3.4938    3.4408
 5     -0.0011   -0.0028      -14.3784  -13.6246       -0.0070   -0.0065
 6      9.9160   10.1838       -0.0023    0.0028       14.4075   14.6208
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.5935                 0.1185                 0.5699
  Dep-P Fr= 1--      0.4867                 0.7500                 0.3431
  Dep-U Fr= 1--      0.6547                 0.8571                 0.5109
 Alpha2 Fr= 1--      0.0084                 0.0000                 0.0051
 Beta2  Fr= 1--      0.1739                 0.0169                 0.0485
 AlphaG Fr= 1--     -0.0006                -0.0000                -0.0180
 Gamma2 Fr= 1--     -0.5269                -0.2336                -0.3171
 Delta2 Fr= 1--     -0.1738                -0.1885                -0.1073
 Raman1 Fr= 1--       6.374                  0.474                  2.280
 ROA1   Fr= 1--     -56.141                -28.463                -33.878
 CID1   Fr= 1--      -8.808                -60.055                -14.861
 Raman2 Fr= 1--       2.087                  0.203                  0.582
 ROA2   Fr= 1--     -11.255                 -4.100                 -6.752
 CID2   Fr= 1--      -5.394                -20.183                -11.596
 Raman3 Fr= 1--       4.173                  0.406                  1.165
 ROA3   Fr= 1--     -56.141                -28.463                -33.878
 CID3   Fr= 1--     -13.452                -70.065                -29.090
 RC180  Fr= 1--       0.309                  0.714                  0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      2.9698                 1.2035                 0.0869
  Dep-P Fr= 1--      0.4933                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6606                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0151                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3270                 0.1719                 0.0124
 AlphaG Fr= 1--      0.0056                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2793                 1.0312                -0.0387
 Delta2 Fr= 1--     -0.0806                 0.2245                -0.0596
 Raman1 Fr= 1--      11.879                  4.814                  0.347
 ROA1   Fr= 1--     -29.396                106.175                 -5.621
 CID1   Fr= 1--      -2.475                 22.056                -16.178
 Raman2 Fr= 1--       3.924                  2.063                  0.149
 ROA2   Fr= 1--      -6.059                 22.952                 -0.452
 CID2   Fr= 1--      -1.544                 11.125                 -3.036
 Raman3 Fr= 1--       7.848                  4.126                  0.298
 ROA3   Fr= 1--     -29.396                106.175                 -5.621
 CID3   Fr= 1--      -3.746                 25.732                -18.874
 RC180  Fr= 1--       0.321                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.5436                 3.1367                 4.1966
  Dep-P Fr= 1--      0.7493                 0.7500                 0.5838
  Dep-U Fr= 1--      0.8567                 0.8571                 0.7372
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0130
 Beta2  Fr= 1--      0.3632                 0.4481                 0.5156
 AlphaG Fr= 1--      0.0008                 0.0000                 0.0076
 Gamma2 Fr= 1--     -1.4082                -0.0684                 1.8338
 Delta2 Fr= 1--      0.2553                 0.0080                 0.4883
 Raman1 Fr= 1--      10.174                 12.547                 16.786
 ROA1   Fr= 1--    -127.023                 -6.313                191.672
 CID1   Fr= 1--     -12.485                 -0.503                 11.418
 Raman2 Fr= 1--       4.358                  5.377                  6.188
 ROA2   Fr= 1--     -35.840                 -1.706                 40.105
 CID2   Fr= 1--      -8.224                 -0.317                  6.481
 Raman3 Fr= 1--       8.716                 10.755                 12.375
 ROA3   Fr= 1--    -127.023                 -6.313                191.672
 CID3   Fr= 1--     -14.573                 -0.587                 15.488
 RC180  Fr= 1--       0.713                  0.714                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     21.9056                16.2625                10.9723
  Dep-P Fr= 1--      0.1723                 0.7500                 0.6069
  Dep-U Fr= 1--      0.2939                 0.8571                 0.7554
 Alpha2 Fr= 1--      0.3199                 0.0000                 0.0289
 Beta2  Fr= 1--      1.0731                 2.3232                 1.3814
 AlphaG Fr= 1--      0.0873                 0.0000                 0.0036
 Gamma2 Fr= 1--     -0.3499                -0.4319                 0.2743
 Delta2 Fr= 1--     -0.9360                 3.2375                -2.6225
 Raman1 Fr= 1--      87.622                 65.050                 43.889
 ROA1   Fr= 1--     -63.543                 62.139                -57.582
 CID1   Fr= 1--      -0.725                  0.955                 -1.312
 Raman2 Fr= 1--      12.877                 27.879                 16.577
 ROA2   Fr= 1--      -0.910                -36.265                 27.564
 CID2   Fr= 1--      -0.071                 -1.301                  1.663
 Raman3 Fr= 1--      25.754                 55.757                 33.154
 ROA3   Fr= 1--     -63.543                 62.139                -57.582
 CID3   Fr= 1--      -2.467                  1.114                 -1.737
 RC180  Fr= 1--      -0.412                  0.714                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      1.1094                 1.0022                 3.5953
  Dep-P Fr= 1--      0.7500                 0.5848                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7380                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0000
 Beta2  Fr= 1--      0.1585                 0.1233                 0.5136
 AlphaG Fr= 1--     -0.0000                 0.0092                 0.0000
 Gamma2 Fr= 1--      0.6394                -0.8576                -1.0924
 Delta2 Fr= 1--     -0.0857                -0.0419                -2.1750
 Raman1 Fr= 1--       4.438                  4.009                 14.381
 ROA1   Fr= 1--      58.642                -83.665               -174.470
 CID1   Fr= 1--      13.214                -20.871                -12.132
 Raman2 Fr= 1--       1.902                  1.479                  6.163
 ROA2   Fr= 1--      16.032                -20.247                 -8.817
 CID2   Fr= 1--       8.429                -13.687                 -1.431
 Raman3 Fr= 1--       3.804                  2.959                 12.327
 ROA3   Fr= 1--      58.642                -83.665               -174.470
 CID3   Fr= 1--      15.417                -28.279                -14.154
 RC180  Fr= 1--       0.714                  0.476                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      9.4056                 8.8363                 2.8120
  Dep-P Fr= 1--      0.7281                 0.7500                 0.7309
  Dep-U Fr= 1--      0.8427                 0.8571                 0.8445
 Alpha2 Fr= 1--      0.0035                 0.0000                 0.0009
 Beta2  Fr= 1--      1.3210                 1.2623                 0.3958
 AlphaG Fr= 1--      0.0069                -0.0000                 0.0048
 Gamma2 Fr= 1--     -4.9177                -1.0282                 6.6378
 Delta2 Fr= 1--     -2.3728                -1.1646                 3.6051
 Raman1 Fr= 1--      37.622                 35.345                 11.248
 ROA1   Fr= 1--    -548.030               -135.975                752.590
 CID1   Fr= 1--     -14.567                 -3.847                 66.910
 Raman2 Fr= 1--      15.851                 15.148                  4.750
 ROA2   Fr= 1--     -99.042                -15.360                130.466
 CID2   Fr= 1--      -6.248                 -1.014                 27.469
 Raman3 Fr= 1--      31.703                 30.296                  9.499
 ROA3   Fr= 1--    -548.030               -135.975                752.590
 CID3   Fr= 1--     -17.286                 -4.488                 79.227
 RC180  Fr= 1--       0.685                  0.714                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.3219                 2.2017                 3.6040
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7440
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8532
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0460                 0.3145                 0.5125
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0010
 Gamma2 Fr= 1--      0.9647                 2.2636                -0.7392
 Delta2 Fr= 1--      0.1397                 0.9979                -0.7598
 Raman1 Fr= 1--       1.288                  8.807                 14.416
 ROA1   Fr= 1--      97.082                249.242                -95.278
 CID1   Fr= 1--      75.388                 28.301                 -6.609
 Raman2 Fr= 1--       0.552                  3.774                  6.150
 ROA2   Fr= 1--      22.035                 46.344                -11.662
 CID2   Fr= 1--      39.926                 12.279                 -1.896
 Raman3 Fr= 1--       1.104                  7.549                 12.300
 ROA3   Fr= 1--      97.082                249.242                -95.278
 CID3   Fr= 1--      87.953                 33.018                 -7.746
 RC180  Fr= 1--       0.714                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     61.4269                 0.6306                 3.4852
  Dep-P Fr= 1--      0.0283                 0.7500                 0.2792
  Dep-U Fr= 1--      0.0551                 0.8571                 0.4365
 Alpha2 Fr= 1--      1.2773                 0.0000                 0.0380
 Beta2  Fr= 1--      0.5642                 0.0901                 0.2536
 AlphaG Fr= 1--      0.0638                -0.0000                 0.0152
 Gamma2 Fr= 1--     -2.0409                -0.7868                -1.6739
 Delta2 Fr= 1--     -0.3570                -0.2864                -0.8591
 Raman1 Fr= 1--     245.708                  2.522                 13.941
 ROA1   Fr= 1--    -207.351                -84.702               -188.190
 CID1   Fr= 1--      -0.844                -33.580                -13.499
 Raman2 Fr= 1--       6.771                  1.081                  3.043
 ROA2   Fr= 1--     -46.126                -16.593                -33.302
 CID2   Fr= 1--      -6.813                -15.350                -10.944
 Raman3 Fr= 1--      13.541                  2.162                  6.086
 ROA3   Fr= 1--    -207.351                -84.702               -188.190
 CID3   Fr= 1--     -15.312                -39.177                -30.924
 RC180  Fr= 1--      -0.890                  0.714                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      2.4638                 1.1761                 3.1685
  Dep-P Fr= 1--      0.7500                 0.7500                 0.6413
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7815
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0062
 Beta2  Fr= 1--      0.3520                 0.1680                 0.4127
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0337
 Gamma2 Fr= 1--      0.0272                 0.9845                 1.0197
 Delta2 Fr= 1--      1.8395                 0.3603                -0.1547
 Raman1 Fr= 1--       9.855                  4.704                 12.674
 ROA1   Fr= 1--      61.470                106.038                 92.945
 CID1   Fr= 1--       6.237                 22.540                  7.334
 Raman2 Fr= 1--       4.224                  2.016                  4.952
 ROA2   Fr= 1--     -14.064                 20.744                 25.711
 CID2   Fr= 1--      -3.330                 10.289                  5.192
 Raman3 Fr= 1--       8.447                  4.032                  9.904
 ROA3   Fr= 1--      61.470                106.038                 92.945
 CID3   Fr= 1--       7.277                 26.297                  9.384
 RC180  Fr= 1--       0.714                  0.714                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4792                 1.8459                 1.2849
  Dep-P Fr= 1--      0.7500                 0.6338                 0.2412
  Dep-U Fr= 1--      0.8571                 0.7759                 0.3887
 Alpha2 Fr= 1--      0.0000                 0.0039                 0.0156
 Beta2  Fr= 1--      0.0685                 0.2387                 0.0832
 AlphaG Fr= 1--     -0.0000                 0.0074                -0.0217
 Gamma2 Fr= 1--      0.1772                -0.6765                 1.3441
 Delta2 Fr= 1--     -0.1638                -0.6206                -0.1278
 Raman1 Fr= 1--       1.917                  7.384                  5.140
 ROA1   Fr= 1--      11.770                -84.808                124.941
 CID1   Fr= 1--       6.141                -11.486                 24.309
 Raman2 Fr= 1--       0.821                  2.864                  0.999
 ROA2   Fr= 1--       5.563                -11.272                 33.279
 CID2   Fr= 1--       6.772                 -3.935                 33.320
 Raman3 Fr= 1--       1.643                  5.729                  1.998
 ROA3   Fr= 1--      11.770                -84.808                124.941
 CID3   Fr= 1--       7.165                -14.804                 62.546
 RC180  Fr= 1--       0.714                  0.552                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.5295                 2.8946                 1.0189
  Dep-P Fr= 1--      0.7500                 0.7414                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8515                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0756                 0.4108                 0.1456
 AlphaG Fr= 1--     -0.0000                -0.0213                 0.0000
 Gamma2 Fr= 1--     -1.9211                 0.0279                -0.1697
 Delta2 Fr= 1--     -0.8162                 0.5793                 1.5228
 Raman1 Fr= 1--       2.118                 11.578                  4.075
 ROA1   Fr= 1--    -210.541                 21.216                 32.438
 CID1   Fr= 1--     -99.404                  1.832                  7.959
 Raman2 Fr= 1--       0.908                  4.930                  1.747
 ROA2   Fr= 1--     -39.576                 -3.965                -16.256
 CID2   Fr= 1--     -43.599                 -0.804                 -9.307
 Raman3 Fr= 1--       1.815                  9.859                  3.493
 ROA3   Fr= 1--    -210.541                 21.216                 32.438
 CID3   Fr= 1--    -115.972                  2.152                  9.286
 RC180  Fr= 1--       0.714                  0.703                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      1.0309                 0.1090                 1.3882
  Dep-P Fr= 1--      0.4899                 0.6946                 0.3138
  Dep-U Fr= 1--      0.6576                 0.8198                 0.4777
 Alpha2 Fr= 1--      0.0053                 0.0001                 0.0137
 Beta2  Fr= 1--      0.1130                 0.0149                 0.1105
 AlphaG Fr= 1--     -0.0035                -0.0001                -0.0367
 Gamma2 Fr= 1--     -0.7445                 0.4091                 0.9553
 Delta2 Fr= 1--     -0.4733                -0.0487                -0.0016
 Raman1 Fr= 1--       4.124                  0.436                  5.553
 ROA1   Fr= 1--     -86.619                 37.720                 91.654
 CID1   Fr= 1--     -21.006                 86.552                 16.506
 Raman2 Fr= 1--       1.356                  0.179                  1.326
 ROA2   Fr= 1--     -14.082                 10.209                 22.939
 CID2   Fr= 1--     -10.386                 57.150                 17.294
 Raman3 Fr= 1--       2.712                  0.357                  2.653
 ROA3   Fr= 1--     -86.619                 37.720                 91.654
 CID3   Fr= 1--     -31.941                105.581                 34.550
 RC180  Fr= 1--       0.315                  0.640                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.0069                12.2243                14.3024
  Dep-P Fr= 1--      0.7500                 0.3271                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4930                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1154                 0.0000
 Beta2  Fr= 1--      0.2867                 1.0044                 2.0432
 AlphaG Fr= 1--      0.0000                 0.0372                -0.0000
 Gamma2 Fr= 1--      1.6782                 5.2596                -6.1032
 Delta2 Fr= 1--      1.1432                 1.0858                -1.7895
 Raman1 Fr= 1--       8.028                 48.897                 57.209
 ROA1   Fr= 1--     197.690                539.663               -643.174
 CID1   Fr= 1--      24.626                 11.037                -11.242
 Raman2 Fr= 1--       3.440                 12.053                 24.518
 ROA2   Fr= 1--      31.132                117.543               -132.161
 CID2   Fr= 1--       9.049                  9.752                 -5.390
 Raman3 Fr= 1--       6.881                 24.106                 49.037
 ROA3   Fr= 1--     197.690                539.663               -643.174
 CID3   Fr= 1--      28.730                 22.388                -13.116
 RC180  Fr= 1--       0.714                 -0.014                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      2.8321                17.3300                 5.4035
  Dep-P Fr= 1--      0.7500                 0.7495                 0.4248
  Dep-U Fr= 1--      0.8571                 0.8568                 0.5963
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0365
 Beta2  Fr= 1--      0.4046                 2.4747                 0.5370
 AlphaG Fr= 1--      0.0000                 0.0078                -0.0448
 Gamma2 Fr= 1--      2.2035                 1.0144                -0.4921
 Delta2 Fr= 1--     -0.2023                 2.1881                -0.2846
 Raman1 Fr= 1--      11.328                 69.320                 21.614
 ROA1   Fr= 1--     205.059                167.399                -56.351
 CID1   Fr= 1--      18.101                  2.415                 -2.607
 Raman2 Fr= 1--       4.855                 29.697                  6.444
 ROA2   Fr= 1--      54.501                  6.840                 -9.535
 CID2   Fr= 1--      11.226                  0.230                 -1.480
 Raman3 Fr= 1--       9.710                 59.394                 12.888
 ROA3   Fr= 1--     205.059                167.399                -56.351
 CID3   Fr= 1--      21.118                  2.818                 -4.372
 RC180  Fr= 1--       0.714                  0.714                  0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3798                 4.3455                 2.5687
  Dep-P Fr= 1--      0.7500                 0.1756                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2987                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0629                 0.0000
 Beta2  Fr= 1--      0.0543                 0.2163                 0.3670
 AlphaG Fr= 1--     -0.0000                -0.0578                -0.0000
 Gamma2 Fr= 1--      0.1186                 0.3022                -0.3652
 Delta2 Fr= 1--      0.0454                -0.0613                 1.4383
 Raman1 Fr= 1--       1.519                 17.382                 10.275
 ROA1   Fr= 1--      12.836                 27.047                 10.964
 CID1   Fr= 1--       8.450                  1.556                  1.067
 Raman2 Fr= 1--       0.651                  2.596                  4.403
 ROA2   Fr= 1--       2.482                  7.742                -20.273
 CID2   Fr= 1--       3.813                  2.982                 -4.604
 Raman3 Fr= 1--       1.302                  5.192                  8.807
 ROA3   Fr= 1--      12.836                 27.047                 10.964
 CID3   Fr= 1--       9.858                  5.210                  1.245
 RC180  Fr= 1--       0.714                 -0.403                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     25.7040               326.2535                23.8045
  Dep-P Fr= 1--      0.7403                 0.0308                 0.7479
  Dep-U Fr= 1--      0.8508                 0.0598                 0.8558
 Alpha2 Fr= 1--      0.0043                 6.7440                 0.0008
 Beta2  Fr= 1--      3.6447                 3.2533                 3.3953
 AlphaG Fr= 1--     -0.0006                -0.9180                 0.0006
 Gamma2 Fr= 1--    -26.3025                23.2975               -14.1921
 Delta2 Fr= 1--      1.3066                 6.7353               -13.8953
 Raman1 Fr= 1--     102.816               1305.014                 95.218
 ROA1   Fr= 1--   -2483.231               2452.093              -1807.090
 CID1   Fr= 1--     -24.152                  1.879                -18.978
 Raman2 Fr= 1--      43.736                 39.040                 40.743
 ROA2   Fr= 1--    -641.713                505.259               -229.448
 CID2   Fr= 1--     -14.672                 12.942                 -5.632
 Raman3 Fr= 1--      87.472                 78.080                 81.487
 ROA3   Fr= 1--   -2483.231               2452.093              -1807.090
 CID3   Fr= 1--     -28.389                 31.405                -22.176
 RC180  Fr= 1--       0.702                 -0.880                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    177.2958                 0.7346               488.5329
  Dep-P Fr= 1--      0.2374                 0.4235                 0.0166
  Dep-U Fr= 1--      0.3837                 0.5950                 0.0327
 Alpha2 Fr= 1--      2.1760                 0.0050                10.4425
 Beta2  Fr= 1--     11.3394                 0.0728                 2.6602
 AlphaG Fr= 1--      1.0822                 0.0007                 0.7376
 Gamma2 Fr= 1--     19.0137                 1.8463                -8.2342
 Delta2 Fr= 1--      7.1045                 1.7206                 6.7917
 Raman1 Fr= 1--     709.183                  2.938               1954.131
 ROA1   Fr= 1--    2052.664                232.299               -573.150
 CID1   Fr= 1--       2.894                 79.056                 -0.293
 Raman2 Fr= 1--     136.073                  0.874                 31.923
 ROA2   Fr= 1--     399.494                 30.546               -251.954
 CID2   Fr= 1--       2.936                 34.942                 -7.893
 Raman3 Fr= 1--     272.147                  1.748                 63.845
 ROA3   Fr= 1--    2052.664                232.299               -573.150
 CID3   Fr= 1--       7.542                132.866                 -8.977
 RC180  Fr= 1--      -0.233                  0.190                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    150.3823                32.7431                66.0943
  Dep-P Fr= 1--      0.7330                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8460                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0436                 0.0000                 0.0000
 Beta2  Fr= 1--     21.2029                 4.6776                 9.4420
 AlphaG Fr= 1--     -0.0450                -0.0000                -0.0000
 Gamma2 Fr= 1--      7.2037               -19.0394                34.9913
 Delta2 Fr= 1--     -5.1155                -1.7408                51.4649
 Raman1 Fr= 1--     601.529                130.973                264.377
 ROA1   Fr= 1--     527.860              -1883.488               5006.038
 CID1   Fr= 1--       0.878                -14.381                 18.935
 Raman2 Fr= 1--     254.435                 56.131                113.305
 ROA2   Fr= 1--     213.814               -443.019                428.071
 CID2   Fr= 1--       0.840                 -7.893                  3.778
 Raman3 Fr= 1--     508.871                112.262                226.609
 ROA3   Fr= 1--     527.860              -1883.488               5006.038
 CID3   Fr= 1--       1.037                -16.778                 22.091
 RC180  Fr= 1--       0.692                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    112.9899                34.2495               119.7695
  Dep-P Fr= 1--      0.7486                 0.7498                 0.6812
  Dep-U Fr= 1--      0.8562                 0.8570                 0.8104
 Alpha2 Fr= 1--      0.0026                 0.0001                 0.1451
 Beta2  Fr= 1--     16.1245                 4.8920                16.1770
 AlphaG Fr= 1--      0.1012                -0.0003                -0.4293
 Gamma2 Fr= 1--    -23.0229                10.7115               -12.1898
 Delta2 Fr= 1--    -44.3111                 1.3212                -8.0531
 Raman1 Fr= 1--     451.960                136.998                479.078
 ROA1   Fr= 1--   -3628.154               1070.583              -1427.922
 CID1   Fr= 1--      -8.028                  7.815                 -2.981
 Raman2 Fr= 1--     193.494                 58.704                194.124
 ROA2   Fr= 1--    -198.061                246.506               -228.130
 CID2   Fr= 1--      -1.024                  4.199                 -1.175
 Raman3 Fr= 1--     386.988                117.407                388.249
 ROA3   Fr= 1--   -3628.154               1070.583              -1427.922
 CID3   Fr= 1--      -9.375                  9.119                 -3.678
 RC180  Fr= 1--       0.712                  0.714                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123297D+03 -0.299274D-03  0.148541D+01
      2  -0.299274D-03  0.100105D+03  0.111785D-03
      3   0.148541D+01  0.111785D-03  0.948839D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.817452D+01 -0.388632D-03  0.186496D+01
      2  -0.185413D-02 -0.257887D+01  0.344532D-02
      3   0.255309D+02 -0.724732D-03 -0.365132D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.177335D-01 -0.257916D+02 -0.372995D-02
      2   0.525526D-02 -0.852027D+01 -0.110606D-01
      3   0.124783D-01  0.343119D+02  0.147906D-01
      4  -0.287813D+02 -0.125620D-02 -0.717693D+00
      5  -0.283729D-02  0.212654D+01  0.124751D-01
      6  -0.184152D+01 -0.129287D-01  0.167013D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.358651D+01  0.326271D+01 -0.556222D+01 -0.818464D+00 -0.352278D+01
      2   0.326271D+01 -0.449741D+01  0.101489D+01 -0.352278D+01 -0.262126D+01
      3  -0.556222D+01  0.101489D+01  0.295761D+01  0.200683D+01 -0.145141D+01
                 6             7             8             9            10 
      1   0.200683D+01 -0.242939D+01 -0.115890D+01  0.200436D+01  0.115584D+00
      2  -0.145141D+01 -0.115890D+01 -0.282970D+01  0.245900D+01  0.795748D+00
      3   0.359673D+01  0.200436D+01  0.245900D+01  0.276951D+01 -0.152814D+01
                11            12            13            14            15 
      1   0.795748D+00 -0.152814D+01  0.243327D+01 -0.108197D+01 -0.296445D+01
      2   0.861600D-01  0.678473D+00 -0.108197D+01  0.122093D+01  0.137760D+01
      3   0.678473D+00 -0.117781D+00 -0.296445D+01  0.137760D+01 -0.154446D+01
                16            17            18            19            20 
      1  -0.554055D+01 -0.111286D+01  0.128619D+01 -0.119819D-02 -0.491335D+00
      2  -0.111286D+01  0.317361D+01 -0.115718D+01 -0.491335D+00  0.788387D-04
      3   0.128619D+01 -0.115718D+01  0.142757D+00 -0.129734D-03 -0.155289D-01
                21            22            23            24            25 
      1  -0.129734D-03  0.212171D+01 -0.174431D-02  0.360479D+01  0.600503D-03
      2  -0.155289D-01 -0.174431D-02  0.787678D+00  0.491510D-04  0.521034D+01
      3   0.162273D-03  0.360479D+01  0.491510D-04 -0.236723D+01  0.215504D-02
                26            27            28            29            30 
      1   0.521034D+01  0.215504D-02  0.713635D+00 -0.375142D+01  0.333520D+01
      2   0.382887D-03 -0.122337D+01 -0.375142D+01 -0.205675D+00 -0.399493D+00
      3  -0.122337D+01 -0.135789D-02  0.333520D+01 -0.399493D+00  0.223834D+01
                31            32            33            34            35 
      1  -0.609035D+01  0.235209D+01 -0.144708D+00  0.492982D+01  0.136422D+01
      2   0.235209D+01  0.244562D+01  0.338016D+01  0.136422D+01  0.220359D+01
      3  -0.144708D+00  0.338016D+01  0.264847D+01  0.897901D+00  0.171456D+01
                36            37            38            39            40 
      1   0.897901D+00  0.139633D+01 -0.297313D+01  0.711995D+00 -0.243299D+01
      2   0.171456D+01 -0.297313D+01  0.313404D+01 -0.355765D+01  0.290981D+01
      3  -0.353406D+01  0.711995D+00 -0.355765D+01 -0.369230D+01 -0.129842D+01
                41            42            43            44            45 
      1   0.290981D+01 -0.129842D+01  0.245014D+01 -0.434133D+01 -0.306918D+01
      2  -0.221165D+01 -0.244018D+01 -0.434133D+01 -0.254146D+01 -0.532716D-01
      3  -0.244018D+01 -0.469070D+00 -0.306918D+01 -0.532716D-01  0.684836D+00
                46            47            48            49            50 
      1  -0.358570D+01  0.326016D+01  0.556208D+01 -0.818916D+00  0.352332D+01
      2   0.326016D+01  0.449674D+01  0.101624D+01  0.352332D+01 -0.262284D+01
      3   0.556208D+01  0.101624D+01 -0.295992D+01  0.200876D+01  0.144848D+01
                51            52            53            54            55 
      1   0.200876D+01  0.242775D+01 -0.115778D+01 -0.200710D+01 -0.109804D+00
      2   0.144848D+01 -0.115778D+01  0.282644D+01  0.246003D+01  0.795862D+00
      3   0.359672D+01 -0.200710D+01  0.246003D+01 -0.276572D+01  0.152868D+01
                56            57            58            59            60 
      1   0.795862D+00  0.152868D+01  0.243137D+01  0.108321D+01 -0.296378D+01
      2  -0.869796D-01  0.678069D+00  0.108321D+01  0.122357D+01 -0.137589D+01
      3   0.678069D+00  0.117899D+00 -0.296378D+01 -0.137589D+01 -0.154444D+01
                61            62            63            64            65 
      1   0.554141D+01 -0.111277D+01 -0.128835D+01 -0.139842D+01 -0.297699D+01
      2  -0.111277D+01 -0.317224D+01 -0.115889D+01 -0.297699D+01 -0.313046D+01
      3  -0.128835D+01 -0.115889D+01 -0.144138D+00 -0.711308D+00 -0.355960D+01
                66            67            68            69            70 
      1  -0.711308D+00 -0.243461D+01 -0.290646D+01 -0.129991D+01 -0.244942D+01
      2  -0.355960D+01 -0.290646D+01 -0.221392D+01  0.244115D+01 -0.434222D+01
      3   0.368917D+01 -0.129991D+01  0.244115D+01 -0.465678D+00  0.306705D+01
                71            72            73            74            75 
      1  -0.434222D+01  0.306705D+01 -0.721095D+00 -0.375021D+01 -0.333773D+01
      2   0.254197D+01 -0.487450D-01 -0.375021D+01  0.206448D+00 -0.396893D+00
      3  -0.487450D-01 -0.688994D+00 -0.333773D+01 -0.396893D+00 -0.223510D+01
                76            77            78            79            80 
      1  -0.608816D+01 -0.235307D+01 -0.142781D+00 -0.493220D+01  0.136606D+01
      2  -0.235307D+01  0.244879D+01 -0.338039D+01  0.136606D+01 -0.220383D+01
      3  -0.142781D+00 -0.338039D+01  0.264482D+01 -0.893067D+00  0.171167D+01
                81            82            83            84            85 
      1  -0.893067D+00  0.172824D+01  0.160667D+01 -0.165289D+00  0.298293D+01
      2   0.171167D+01  0.160667D+01  0.333392D+01 -0.849073D+00  0.307927D+01
      3   0.353855D+01 -0.165289D+00 -0.849073D+00  0.350748D+00 -0.978554D+00
                86            87            88            89            90 
      1   0.307927D+01 -0.978554D+00  0.103148D+01 -0.145071D-01  0.258806D+00
      2   0.984232D+01 -0.212484D+01 -0.145071D-01  0.433749D+00  0.124991D+01
      3  -0.212484D+01  0.173318D+01  0.258806D+00  0.124991D+01 -0.127787D+01
                91            92            93            94            95 
      1  -0.998151D+00 -0.103350D+00 -0.329713D+00 -0.996882D+00  0.585273D+00
      2  -0.103350D+00  0.232597D+00 -0.177942D-01  0.585273D+00  0.456761D+00
      3  -0.329713D+00 -0.177942D-01 -0.176958D+01 -0.343865D+00 -0.116499D+01
                96            97            98            99           100 
      1  -0.343865D+00 -0.170845D+01  0.899432D-01 -0.255732D+00  0.884240D+00
      2  -0.116499D+01  0.899432D-01 -0.155467D+01  0.107761D+01  0.638899D+00
      3  -0.189095D+01 -0.255732D+00  0.107761D+01 -0.103572D+02  0.794502D+00
               101           102           103           104           105 
      1   0.638899D+00  0.794502D+00  0.603844D+00  0.294044D+00  0.197776D+00
      2  -0.266570D+00  0.296747D+00  0.294044D+00 -0.616852D+00  0.580679D+00
      3   0.296747D+00 -0.468621D+00  0.197776D+00  0.580679D+00 -0.104679D+01
               106           107           108           109           110 
      1   0.253007D+01 -0.361254D+00  0.274425D+01  0.108071D+02  0.289709D+01
      2  -0.361254D+00  0.121012D+01 -0.740480D+00  0.289709D+01  0.188991D+01
      3   0.274425D+01 -0.740480D+00  0.968703D+01  0.495360D+00  0.183007D+00
               111           112           113           114           115 
      1   0.495360D+00  0.526560D+01  0.199616D+01  0.263988D+00 -0.215930D+01
      2   0.183007D+00  0.199616D+01  0.142149D+01 -0.191864D+00 -0.395329D+00
      3   0.110744D+01  0.263988D+00 -0.191864D+00  0.566746D+00  0.144705D+01
               116           117           118           119           120 
      1  -0.395329D+00  0.144705D+01 -0.476145D+00 -0.572595D+00  0.578639D-01
      2  -0.941612D+00  0.250974D+00 -0.572595D+00 -0.289139D+01  0.986732D+00
      3   0.250974D+00  0.498651D+00  0.578639D-01  0.986732D+00 -0.279794D+00
               121           122           123           124           125 
      1  -0.138770D+01 -0.435241D+00  0.425579D+00  0.855253D+00  0.781234D+00
      2  -0.435241D+00 -0.781062D+01  0.110331D+01  0.781234D+00  0.243940D+01
      3   0.425579D+00  0.110331D+01 -0.131266D+01  0.351004D+00 -0.152796D+01
               126           127           128           129           130 
      1   0.351004D+00  0.348478D+01 -0.155403D+01 -0.222046D+01 -0.619679D+00
      2  -0.152796D+01 -0.155403D+01  0.137133D+01  0.167181D+01  0.119687D+01
      3   0.927642D+00 -0.222046D+01  0.167181D+01  0.287624D+01  0.103290D+01
               131           132           133           134           135 
      1   0.119687D+01  0.103290D+01 -0.416859D+01  0.254327D+01  0.351482D+01
      2  -0.252011D+01 -0.142223D+01  0.254327D+01 -0.270775D+01 -0.266107D+01
      3  -0.142223D+01 -0.109767D+01  0.351482D+01 -0.266107D+01 -0.537227D+01
               136           137           138           139           140 
      1   0.999499D+00 -0.103349D+00  0.329655D+00 -0.997347D+00 -0.584985D+00
      2  -0.103349D+00 -0.232089D+00 -0.178153D-01 -0.584985D+00  0.455991D+00
      3   0.329655D+00 -0.178153D-01  0.177192D+01 -0.344355D+00  0.116533D+01
               141           142           143           144           145 
      1  -0.344355D+00  0.170851D+01  0.899445D-01  0.258007D+00 -0.172875D+01
      2   0.116533D+01  0.899445D-01  0.155435D+01  0.107583D+01  0.160655D+01
      3  -0.189200D+01  0.258007D+00  0.107583D+01  0.103558D+02  0.165850D+00
               146           147           148           149           150 
      1   0.160655D+01  0.165850D+00  0.298323D+01 -0.307882D+01 -0.979210D+00
      2  -0.333371D+01 -0.849795D+00 -0.307882D+01  0.984023D+01  0.212649D+01
      3  -0.849795D+00 -0.351147D+00 -0.979210D+00  0.212649D+01  0.173390D+01
               151           152           153           154           155 
      1  -0.103034D+01 -0.151315D-01 -0.258672D+00  0.475715D+00 -0.570934D+00
      2  -0.151315D-01 -0.431249D+00  0.125001D+01 -0.570934D+00  0.288878D+01
      3  -0.258672D+00  0.125001D+01  0.127868D+01 -0.583205D-01  0.987683D+00
               156           157           158           159           160 
      1  -0.583205D-01 -0.138656D+01  0.433290D+00  0.425679D+00 -0.856413D+00
      2   0.987683D+00  0.433290D+00 -0.780981D+01 -0.110640D+01  0.780670D+00
      3   0.280242D+00  0.425679D+00 -0.110640D+01 -0.131384D+01 -0.350900D+00
               161           162           163           164           165 
      1   0.780670D+00 -0.350900D+00 -0.348149D+01 -0.155316D+01  0.221891D+01
      2  -0.244289D+01 -0.152983D+01 -0.155316D+01 -0.137150D+01  0.167194D+01
      3  -0.152983D+01 -0.929881D+00  0.221891D+01  0.167194D+01 -0.287433D+01
               166           167           168           169           170 
      1  -0.620002D+00 -0.119760D+01  0.103331D+01  0.416744D+01  0.254378D+01
      2  -0.119760D+01 -0.252175D+01  0.142262D+01  0.254378D+01  0.270905D+01
      3   0.103331D+01  0.142262D+01 -0.109880D+01 -0.351353D+01 -0.266259D+01
               171           172           173           174           175 
      1  -0.351353D+01 -0.885916D+00  0.639161D+00 -0.794942D+00  0.604741D+00
      2  -0.266259D+01  0.639161D+00  0.265753D+00  0.296205D+00 -0.294414D+00
      3   0.537300D+01 -0.794942D+00  0.296205D+00  0.465849D+00  0.197907D+00
               176           177           178           179           180 
      1  -0.294414D+00  0.197907D+00 -0.253144D+01 -0.360782D+00 -0.274735D+01
      2  -0.616010D+00 -0.580404D+00 -0.360782D+00 -0.120988D+01 -0.737902D+00
      3  -0.580404D+00 -0.104394D+01 -0.274735D+01 -0.737902D+00 -0.968797D+01
               181           182           183           184           185 
      1  -0.108050D+02  0.289765D+01 -0.491844D+00  0.526495D+01 -0.199626D+01
      2   0.289765D+01 -0.188996D+01  0.181865D+00 -0.199626D+01  0.142145D+01
      3  -0.491844D+00  0.181865D+00 -0.110704D+01  0.262502D+00  0.192736D+00
               186           187           188           189 
      1   0.262502D+00  0.216363D+01 -0.396592D+00 -0.144771D+01
      2   0.192736D+00 -0.396592D+00  0.942621D+00  0.251695D+00
      3   0.566959D+00 -0.144771D+01  0.251695D+00 -0.496984D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418463D+01  0.509435D+01 -0.677099D+01  0.527930D+01  0.880794D+01
      2  -0.207045D+01  0.229155D+01  0.216987D+01  0.443818D+01 -0.770016D+01
      3   0.232761D+00  0.418549D+01 -0.685597D+01  0.654923D+01 -0.265681D+01
                 6             7             8             9            10 
      1  -0.802433D+01 -0.351206D+01  0.400619D+01 -0.100411D+02 -0.168327D+00
      2   0.616701D+01 -0.528634D+01  0.221018D+01  0.649976D+01 -0.125997D+01
      3   0.352348D+01 -0.624589D+01  0.252775D+01  0.100693D+01  0.443243D+01
                11            12            13            14            15 
      1   0.105336D+01  0.253756D+01 -0.231543D+01  0.671219D+00 -0.422450D+01
      2  -0.352810D+00  0.405118D+01 -0.213117D+01  0.234536D+01 -0.551182D+01
      3  -0.807894D+01  0.161980D+00  0.131632D+02 -0.355513D+01 -0.202999D+01
                16            17            18            19            20 
      1  -0.720042D+01  0.445312D+01  0.669509D-01  0.160098D-02 -0.230490D+01
      2  -0.951986D+01  0.206586D+01  0.898566D-01 -0.384216D+01 -0.878737D-03
      3  -0.664104D+00 -0.660033D+01  0.300772D+01  0.367642D-04 -0.522372D+01
                21            22            23            24            25 
      1  -0.227294D-03  0.359469D+01 -0.405235D-03 -0.845949D+00 -0.106651D-02
      2   0.619389D+01 -0.210464D-03 -0.577713D+00  0.310298D-03 -0.138008D+02
      3   0.526502D-04  0.141513D+02 -0.267167D-02 -0.430547D+00  0.393894D-03
                26            27            28            29            30 
      1   0.376935D+01  0.206998D-02 -0.364409D+01  0.126077D+01  0.288692D+00
      2  -0.632373D-03  0.118524D+01  0.138733D+02  0.268075D+01  0.896898D+01
      3   0.569972D+01  0.232910D-02  0.100973D+02 -0.282141D+01  0.353035D+00
                31            32            33            34            35 
      1  -0.139526D+01  0.426427D+01  0.654742D+00  0.279223D+01  0.526582D+01
      2   0.461117D+01  0.100918D+02  0.848048D+01 -0.537725D+01  0.434023D+01
      3  -0.246876D+01 -0.916125D+01 -0.100834D+02 -0.307235D+01 -0.930958D+01
                36            37            38            39            40 
      1   0.288375D+01  0.178476D+01 -0.855142D+01 -0.443691D+01 -0.527464D+01
      2  -0.136978D+02 -0.645020D+00 -0.788620D+01 -0.614258D+01 -0.524070D+01
      3  -0.701257D+01  0.803830D+01 -0.892162D+01  0.776603D+01  0.130019D+00
                41            42            43            44            45 
      1  -0.514608D+01 -0.306299D+01 -0.633756D+01  0.616842D+01  0.135445D+01
      2  -0.408037D+01 -0.256941D+01 -0.802473D+01 -0.209984D+01 -0.337127D+00
      3  -0.343449D-02  0.105965D+02  0.905680D+01  0.142779D+02  0.716348D+01
                46            47            48            49            50 
      1  -0.418651D+01  0.509311D+01  0.677626D+01  0.527821D+01 -0.880602D+01
      2  -0.207073D+01 -0.229058D+01  0.217128D+01 -0.443767D+01 -0.769782D+01
      3  -0.233283D+00  0.418077D+01  0.685622D+01  0.654512D+01  0.265481D+01
                51            52            53            54            55 
      1  -0.802774D+01  0.352024D+01  0.400036D+01  0.100352D+02  0.168336D+00
      2  -0.616908D+01 -0.528317D+01 -0.221392D+01  0.649895D+01 -0.126062D+01
      3   0.352241D+01  0.624479D+01  0.252679D+01 -0.100955D+01 -0.443089D+01
                56            57            58            59            60 
      1   0.105294D+01 -0.253783D+01 -0.231733D+01 -0.671720D+00 -0.422392D+01
      2   0.353208D+00  0.405177D+01  0.213084D+01  0.234293D+01  0.551154D+01
      3  -0.807952D+01 -0.161987D+00  0.131645D+02  0.355980D+01 -0.202611D+01
                61            62            63            64            65 
      1   0.720027D+01  0.445245D+01 -0.657429D-01 -0.178217D+01 -0.855078D+01
      2  -0.951842D+01 -0.206272D+01  0.919203D-01 -0.645171D+00  0.789218D+01
      3   0.664835D+00 -0.659841D+01 -0.301135D+01 -0.804540D+01 -0.890498D+01
                66            67            68            69            70 
      1   0.443337D+01 -0.527351D+01  0.514782D+01 -0.305597D+01  0.633581D+01
      2  -0.613627D+01  0.524366D+01 -0.408592D+01  0.256110D+01 -0.802011D+01
      3  -0.777418D+01  0.145301D+00 -0.963002D-02  0.106036D+02 -0.906017D+01
                71            72            73            74            75 
      1   0.617688D+01 -0.135914D+01  0.364197D+01  0.126041D+01 -0.290003D+00
      2   0.208737D+01 -0.324612D+00  0.138757D+02 -0.268764D+01  0.895669D+01
      3   0.142828D+02 -0.714848D+01 -0.100938D+02 -0.282268D+01 -0.345257D+00
                76            77            78            79            80 
      1  -0.139417D+01 -0.426471D+01  0.651876D+00 -0.279432D+01  0.526282D+01
      2  -0.461507D+01  0.100927D+02 -0.846749D+01 -0.539497D+01 -0.432825D+01
      3  -0.247376D+01  0.917371D+01 -0.100862D+02  0.307592D+01 -0.931102D+01
                81            82            83            84            85 
      1  -0.288100D+01 -0.259273D+01 -0.377557D+01 -0.334326D+00 -0.263732D+01
      2  -0.137085D+02  0.197388D+01  0.106604D+01  0.114284D+01  0.270519D+01
      3   0.700219D+01  0.137936D+01 -0.310401D+01  0.860757D+00  0.449600D+01
                86            87            88            89            90 
      1  -0.112068D+02 -0.226252D+01 -0.458538D+00 -0.150554D+01  0.411776D+00
      2   0.182228D+01  0.143386D+01 -0.113436D+00  0.138117D+01 -0.987099D+00
      3  -0.488852D+01  0.543596D+00  0.128795D+01 -0.648910D-01 -0.729115D+00
                91            92            93            94            95 
      1   0.162373D+01  0.743984D-01  0.334956D+01 -0.217496D+00  0.149087D+01
      2  -0.306839D+01 -0.498950D+00 -0.112419D+01 -0.201020D+01 -0.702696D+00
      3  -0.833002D+00 -0.577588D+00 -0.389831D+00 -0.444806D+00  0.592775D-01
                96            97            98            99           100 
      1   0.326391D+01  0.372899D+00  0.365018D+01  0.139332D+02  0.107872D+01
      2  -0.295953D+01 -0.608575D+01  0.114284D+01 -0.111960D+02  0.262668D+01
      3   0.402000D+00 -0.235838D+01  0.114952D+01 -0.147348D+01 -0.150618D+01
               101           102           103           104           105 
      1  -0.516920D-01  0.347200D+00  0.108809D+00 -0.783345D+00 -0.763309D+00
      2   0.333124D+00 -0.155091D+01 -0.326417D+00  0.166797D+01 -0.342550D+01
      3  -0.168156D+00 -0.112324D+01 -0.217801D+00  0.164306D+01 -0.138121D+01
               106           107           108           109           110 
      1  -0.169818D-01  0.415359D+01  0.146599D+01  0.345614D+01  0.181553D+01
      2   0.256628D+01 -0.187076D+01  0.275326D+02 -0.700576D+01 -0.157446D+01
      3   0.740803D+00 -0.380283D+01  0.198617D+01 -0.856400D+01 -0.893979D+01
               111           112           113           114           115 
      1  -0.625349D+00  0.225578D+01  0.125948D+01 -0.115690D+01 -0.504727D+00
      2   0.576224D+01 -0.285794D+01 -0.220418D+01  0.244339D+01  0.483884D+01
      3  -0.670034D+00 -0.377479D+01 -0.462921D+01  0.639687D+00  0.101329D+01
               116           117           118           119           120 
      1   0.350474D+00  0.714812D+00  0.771568D+00  0.274336D+01 -0.167380D+01
      2   0.128599D+01  0.440718D+00  0.562694D+00  0.146281D+01 -0.319349D-01
      3   0.278113D+01 -0.741523D+00  0.263436D+01  0.830595D+01 -0.315832D+01
               121           122           123           124           125 
      1   0.718043D+00  0.456015D+01 -0.513575D+01  0.401853D+00 -0.244469D+01
      2   0.759507D+00  0.186457D+01 -0.209926D+01 -0.251182D+00 -0.297846D+01
      3   0.655659D+01  0.209904D+02 -0.360916D+01 -0.415404D+01 -0.781568D+01
               126           127           128           129           130 
      1   0.262028D+01 -0.347364D+01  0.148921D+01  0.470776D+01  0.131279D+01
      2   0.146829D+01 -0.269493D+01  0.348851D+01  0.738049D+01  0.169087D+01
      3   0.370973D+01 -0.167616D+01 -0.229368D+01 -0.106172D+01 -0.234651D+00
               131           132           133           134           135 
      1  -0.853818D+00 -0.258837D+01  0.449253D+01 -0.954305D+00 -0.816053D+01
      2  -0.281515D+01 -0.266667D+01  0.332531D+01 -0.455150D+01 -0.107782D+02
      3   0.509013D+01  0.198526D+01  0.163280D+00  0.400634D+01  0.146910D+01
               136           137           138           139           140 
      1  -0.162454D+01  0.762444D-01 -0.335229D+01 -0.216471D+00 -0.149213D+01
      2  -0.307230D+01  0.499140D+00 -0.112581D+01  0.201241D+01 -0.703399D+00
      3   0.833972D+00 -0.576913D+00  0.389935D+00 -0.444469D+00 -0.597408D-01
               141           142           143           144           145 
      1   0.326523D+01 -0.376312D+00  0.365291D+01 -0.139290D+02  0.259260D+01
      2   0.296110D+01 -0.608937D+01 -0.114057D+01 -0.111961D+02  0.197464D+01
      3   0.401582D+00  0.235711D+01  0.114809D+01  0.147378D+01 -0.137983D+01
               146           147           148           149           150 
      1  -0.377604D+01  0.333497D+00 -0.263671D+01  0.112054D+02 -0.225959D+01
      2  -0.106575D+01  0.114249D+01 -0.270622D+01  0.182213D+01 -0.143336D+01
      3  -0.310379D+01 -0.861014D+00  0.449568D+01  0.488564D+01  0.543739D+00
               151           152           153           154           155 
      1   0.456990D+00 -0.150161D+01 -0.412525D+00 -0.771352D+00  0.274209D+01
      2  -0.114795D+00 -0.138031D+01 -0.988030D+00  0.564136D+00 -0.146566D+01
      3  -0.128686D+01 -0.632496D-01  0.729442D+00 -0.262990D+01  0.829508D+01
               156           157           158           159           160 
      1   0.167374D+01  0.717280D+00 -0.456011D+01 -0.513805D+01 -0.402069D+00
      2  -0.335348D-01 -0.761845D+00  0.187261D+01  0.210272D+01 -0.252413D+00
      3   0.316165D+01  0.654780D+01 -0.209852D+02 -0.361765D+01  0.415495D+01
               161           162           163           164           165 
      1  -0.244751D+01 -0.262473D+01  0.347232D+01  0.149069D+01 -0.470593D+01
      2   0.298329D+01  0.147284D+01 -0.269445D+01 -0.348996D+01  0.737694D+01
      3  -0.782376D+01 -0.371517D+01  0.167454D+01 -0.229489D+01  0.106440D+01
               166           167           168           169           170 
      1   0.131362D+01  0.854711D+00 -0.259104D+01 -0.449222D+01 -0.957600D+00
      2  -0.169122D+01 -0.281571D+01  0.266918D+01  0.332413D+01  0.455522D+01
      3  -0.235704D+00 -0.509287D+01  0.198525D+01 -0.161439D+00  0.400765D+01
               171           172           173           174           175 
      1   0.816365D+01 -0.107814D+01 -0.499818D-01 -0.347353D+00  0.108966D+00
      2  -0.107814D+02  0.262492D+01 -0.331598D+00 -0.154212D+01  0.326981D+00
      3  -0.147376D+01  0.150745D+01 -0.170712D+00  0.112150D+01 -0.218801D+00
               176           177           178           179           180 
      1   0.782060D+00 -0.762303D+00  0.166988D-01  0.415363D+01 -0.146287D+01
      2   0.166666D+01  0.341680D+01  0.257654D+01  0.186391D+01  0.275355D+02
      3  -0.164102D+01 -0.138012D+01 -0.741224D+00 -0.380334D+01 -0.197904D+01
               181           182           183           184           185 
      1  -0.345490D+01  0.181394D+01  0.627366D+00  0.225519D+01 -0.125882D+01
      2  -0.701030D+01  0.157724D+01  0.576417D+01  0.285984D+01 -0.220596D+01
      3   0.856209D+01 -0.893968D+01  0.665947D+00 -0.377356D+01  0.462851D+01
               186           187           188           189 
      1  -0.115799D+01  0.506612D+00  0.349850D+00 -0.715493D+00
      2  -0.244537D+01  0.484387D+01 -0.128894D+01  0.434181D+00
      3   0.642252D+00 -0.101567D+01  0.278536D+01  0.743158D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883582D+01  0.154607D+02 -0.488791D+01  0.771623D+01 -0.289286D+01
      2  -0.164672D+01 -0.186812D+02  0.127887D+02 -0.115535D+02 -0.161598D+02
      3   0.104825D+02  0.322049D+01 -0.790083D+01  0.383723D+01  0.190527D+02
      4   0.716622D+01 -0.567190D+01 -0.385834D+01 -0.875300D+01 -0.174734D+02
      5  -0.147302D+02 -0.229990D+01  0.132286D+02  0.138698D+01  0.284301D+01
      6  -0.163660D+02  0.834133D+01  0.268059D+01  0.969211D+01 -0.340151D-01
                 6             7             8             9            10 
      1   0.103265D+02  0.751447D+00  0.673549D+01  0.101444D+02  0.135212D+01
      2   0.871298D+00  0.451666D+01 -0.312932D+01  0.133052D+02 -0.256133D+01
      3  -0.111978D+02 -0.526810D+01 -0.360616D+01 -0.234495D+02  0.120921D+01
      4   0.654461D+00 -0.687686D+01 -0.409082D+01  0.811780D+01  0.407999D+01
      5   0.391083D+01  0.105637D+02  0.564325D+01 -0.332950D+01 -0.135876D+02
      6   0.800201D+01  0.522136D+01  0.828649D+01 -0.478873D+01  0.219909D+01
                11            12            13            14            15 
      1   0.673647D+00 -0.630952D+01 -0.155034D+01 -0.135530D+01 -0.568721D+01
      2   0.250734D+01  0.229063D+01  0.510307D+01 -0.281172D+00  0.198711D+01
      3  -0.318098D+01  0.401890D+01 -0.355273D+01  0.163647D+01  0.370010D+01
      4  -0.120266D+01  0.469203D+01 -0.691489D+01  0.879666D+01  0.271748D+01
      5   0.629560D+01 -0.718925D+00 -0.180276D+01  0.107392D+01 -0.335199D+01
      6  -0.222501D+01  0.138015D+01 -0.436845D+01  0.192943D+01 -0.424168D+00
                16            17            18            19            20 
      1  -0.111071D+02 -0.366410D+01 -0.670962D+00 -0.530290D+01 -0.185951D-02
      2   0.594175D+01  0.208980D+01 -0.276837D+01  0.775689D+01 -0.325798D-03
      3   0.516537D+01  0.157429D+01  0.343933D+01 -0.245398D+01  0.218531D-02
      4   0.132527D+01  0.679680D+01 -0.263952D+01 -0.373133D-02 -0.267850D+00
      5  -0.148039D+01 -0.154841D+01  0.419721D+00  0.145067D+02  0.118796D-02
      6   0.519833D+01 -0.136888D+01  0.176943D+01  0.286093D-02  0.284220D+01
                21            22            23            24            25 
      1   0.196364D+01 -0.135793D-02 -0.962740D+00  0.244986D-02 -0.550827D+01
      2  -0.348564D+01 -0.172256D-02  0.406999D+01 -0.115944D-02  0.491027D+00
      3   0.152199D+01  0.308050D-02 -0.310725D+01 -0.129043D-02  0.501725D+01
      4   0.207923D-02 -0.364763D+01  0.182744D-02  0.538653D+00  0.535622D-02
      5  -0.948793D+01  0.548969D-02  0.335667D+00  0.462626D-03 -0.158959D+02
      6  -0.137258D-03  0.787047D+01  0.224904D-03 -0.302101D+01  0.107291D-02
                26            27            28            29            30 
      1  -0.282093D-03 -0.283224D+01 -0.103571D+02 -0.206663D+02  0.175263D+02
      2   0.150654D-02  0.996962D+00  0.365182D+00  0.944137D+01 -0.101817D+02
      3  -0.122445D-02  0.183528D+01  0.999195D+01  0.112249D+02 -0.734452D+01
      4   0.661030D+00 -0.544066D-03 -0.269817D+02 -0.162765D+01 -0.400195D+01
      5  -0.940434D-03  0.475211D+01  0.235537D+02 -0.471443D+01  0.144260D+02
      6  -0.230018D+01 -0.194873D-02 -0.602867D+01  0.501845D+00 -0.328509D+01
                31            32            33            34            35 
      1  -0.305631D+02  0.566953D+01 -0.243929D+00  0.301191D+02  0.316779D+01
      2   0.141235D+02 -0.671525D+01 -0.364762D+01 -0.133523D+02 -0.568031D+01
      3   0.164396D+02  0.104572D+01  0.389154D+01 -0.167668D+02  0.251252D+01
      4   0.662438D+01  0.136017D+02  0.160922D+02  0.289883D+01  0.121612D+02
      5  -0.510505D+01  0.183815D+02  0.113868D+02  0.103295D+02  0.744617D+01
      6  -0.385983D+00  0.263019D+01  0.177475D+01 -0.250188D+01  0.174801D+01
                36            37            38            39            40 
      1   0.197357D+02 -0.334172D+00 -0.554437D+01 -0.661419D+01 -0.412201D+01
      2   0.212306D+01  0.807602D+01 -0.851589D+01  0.501595D+01 -0.819391D+01
      3  -0.218588D+02 -0.774185D+01  0.140603D+02  0.159825D+01  0.123159D+02
      4   0.615998D+01 -0.106777D+02  0.133539D+02 -0.136072D+02  0.173483D+02
      5  -0.148600D+02  0.654654D+01 -0.156582D+02 -0.177483D+02 -0.792337D+01
      6   0.398209D+01 -0.431316D-01  0.889401D+01  0.991181D+01  0.592940D+01
                41            42            43            44            45 
      1   0.123471D+02 -0.120762D+02 -0.670988D+00 -0.212222D+02 -0.137661D+02
      2  -0.422871D+01  0.135006D+02  0.206801D+01  0.185287D+02  0.987131D+01
      3  -0.811840D+01 -0.142444D+01 -0.139702D+01  0.269347D+01  0.389479D+01
      4  -0.214016D+02 -0.366155D+01 -0.183312D+02 -0.299480D+01  0.573926D+01
      5  -0.769484D+01  0.273511D+00 -0.163968D+02  0.263132D+01  0.801551D+01
      6   0.664834D+01 -0.190122D+01  0.122531D+02 -0.426638D+01 -0.359303D+01
                46            47            48            49            50 
      1  -0.883714D+01 -0.154559D+02 -0.488171D+01 -0.771884D+01 -0.288693D+01
      2  -0.165442D+01  0.186741D+02  0.127973D+02  0.115482D+02 -0.161585D+02
      3   0.104916D+02 -0.321824D+01 -0.791555D+01 -0.382939D+01  0.190454D+02
      4  -0.715398D+01 -0.567370D+01  0.385237D+01 -0.875509D+01  0.174731D+02
      5  -0.147279D+02  0.229336D+01  0.132303D+02 -0.139654D+01  0.285194D+01
      6   0.163587D+02  0.834508D+01 -0.267839D+01  0.969823D+01  0.187821D-01
                51            52            53            54            55 
      1  -0.103264D+02  0.759771D+00 -0.673450D+01  0.101412D+02  0.133399D+01
      2  -0.879698D+00  0.452573D+01  0.311540D+01  0.132964D+02 -0.255213D+01
      3   0.112061D+02 -0.528550D+01  0.361910D+01 -0.234376D+02  0.121814D+01
      4   0.664065D+00  0.686994D+01 -0.408036D+01 -0.811935D+01 -0.408306D+01
      5  -0.390523D+01  0.105664D+02 -0.564205D+01 -0.334471D+01 -0.135915D+02
      6   0.799482D+01 -0.522177D+01  0.828033D+01  0.480195D+01 -0.219885D+01
                56            57            58            59            60 
      1  -0.675239D+00 -0.631028D+01  0.155318D+01 -0.135976D+01  0.568506D+01
      2  -0.250511D+01  0.229231D+01 -0.510277D+01 -0.278696D+00 -0.198649D+01
      3   0.318035D+01  0.401797D+01  0.354959D+01  0.163846D+01 -0.369857D+01
      4  -0.119962D+01 -0.469171D+01 -0.691747D+01 -0.880252D+01  0.271314D+01
      5  -0.629367D+01 -0.720495D+00  0.180568D+01  0.107146D+01  0.335195D+01
      6  -0.222544D+01 -0.138021D+01 -0.436656D+01 -0.192593D+01 -0.422696D+00
                61            62            63            64            65 
      1  -0.111119D+02  0.366596D+01 -0.663277D+00 -0.329553D+00  0.556878D+01
      2   0.594397D+01 -0.209182D+01 -0.277155D+01  0.807974D+01  0.849131D+01
      3   0.516794D+01 -0.157415D+01  0.343483D+01 -0.775019D+01 -0.140601D+02
      4  -0.132536D+01  0.679308D+01  0.264617D+01  0.106935D+02  0.133490D+02
      5  -0.147171D+01  0.155498D+01  0.426035D+00  0.653751D+01  0.156656D+02
      6  -0.519659D+01 -0.136707D+01 -0.177105D+01  0.419941D-01  0.890286D+01
                66            67            68            69            70 
      1  -0.662099D+01  0.413880D+01  0.123341D+02  0.120859D+02 -0.678891D+00
      2   0.502944D+01  0.817526D+01 -0.421443D+01 -0.135099D+02  0.207894D+01
      3   0.159155D+01 -0.123141D+02 -0.811970D+01  0.142399D+01 -0.140005D+01
      4   0.136140D+02  0.173411D+02  0.213994D+02 -0.365996D+01  0.183339D+02
      5  -0.177343D+02  0.792838D+01 -0.769481D+01 -0.285729D+00 -0.163850D+02
      6  -0.990584D+01  0.593606D+01 -0.665439D+01 -0.191525D+01 -0.122494D+02
                71            72            73            74            75 
      1   0.212270D+02 -0.137419D+02 -0.103175D+02  0.206646D+02  0.175529D+02
      2  -0.185344D+02  0.985245D+01  0.343483D+00 -0.943822D+01 -0.101895D+02
      3  -0.269259D+01  0.388941D+01  0.997405D+01 -0.112264D+02 -0.736337D+01
      4  -0.299322D+01 -0.575303D+01  0.269773D+02 -0.163312D+01  0.398663D+01
      5  -0.264800D+01  0.802984D+01  0.235828D+02  0.469777D+01  0.144115D+02
      6  -0.428263D+01  0.360267D+01  0.602111D+01  0.500402D+00  0.327895D+01
                76            77            78            79            80 
      1   0.305545D+02  0.567281D+01  0.226495D+00  0.301466D+02 -0.318446D+01
      2  -0.141160D+02 -0.671559D+01  0.365042D+01 -0.133580D+02  0.568144D+01
      3  -0.164386D+02  0.104278D+01 -0.387692D+01 -0.167887D+02 -0.249698D+01
      4   0.662510D+01 -0.136191D+02  0.160936D+02 -0.291357D+01  0.121618D+02
      5   0.508477D+01  0.183830D+02 -0.113743D+02  0.103011D+02 -0.743558D+01
      6  -0.385926D+00 -0.263420D+01  0.177784D+01  0.249731D+01  0.175036D+01
                81            82            83            84            85 
      1   0.197094D+02  0.355121D+01 -0.350035D+01  0.162328D+01 -0.253761D+01
      2   0.214328D+01  0.467030D+01  0.110780D+02 -0.282765D+01  0.108177D+02
      3  -0.218527D+02 -0.822151D+01 -0.757765D+01  0.120437D+01 -0.828011D+01
      4  -0.614947D+01  0.107889D+02  0.181254D+02 -0.337019D+01  0.166994D+02
      5  -0.148936D+02 -0.266495D+01 -0.498645D+01  0.365645D+01 -0.569948D+01
      6  -0.397452D+01 -0.260046D+01 -0.735406D+01  0.362747D+01 -0.810126D+01
                86            87            88            89            90 
      1  -0.239409D+02  0.669364D+01  0.263352D+01  0.106551D+01 -0.604743D+01
      2   0.463572D+02 -0.698612D+01 -0.690345D+00  0.366988D+01  0.222347D+01
      3  -0.224163D+02  0.292479D+00 -0.194318D+01 -0.473539D+01  0.382396D+01
      4   0.319131D+02 -0.749037D+01  0.167518D+01  0.998832D+00  0.380899D+01
      5  -0.857244D+01  0.510695D+01  0.159192D+01  0.335112D+01 -0.224741D+01
      6  -0.218340D+02  0.115400D+02  0.192796D+01  0.723628D+01 -0.413071D+01
                91            92            93            94            95 
      1  -0.536842D+00 -0.342868D+00 -0.523238D+01 -0.302197D+01 -0.408208D+01
      2  -0.259028D+01  0.115034D+01 -0.363526D+01  0.227474D+01  0.175919D+01
      3   0.312712D+01 -0.807476D+00  0.886764D+01  0.747231D+00  0.232289D+01
      4  -0.116170D+01  0.214660D+01 -0.157852D+01  0.262022D+01  0.209871D+01
      5   0.203923D+01 -0.309056D+00  0.495885D+01  0.161838D+01 -0.197545D+01
      6   0.486479D+00  0.102285D+00 -0.337455D+01 -0.155865D+01 -0.885970D+00
                96            97            98            99           100 
      1  -0.426551D+01 -0.272471D+01  0.554721D+01 -0.326269D+02  0.654338D+01
      2  -0.660176D+01  0.547355D-01 -0.222274D+01 -0.220936D+02 -0.574077D+01
      3   0.108673D+02  0.266997D+01 -0.332447D+01  0.547206D+02 -0.802607D+00
      4  -0.198181D+01 -0.165444D+01 -0.283308D+01  0.703238D+00  0.305614D+01
      5  -0.226591D+01  0.571813D+01  0.130864D+01 -0.106725D+02  0.412190D+01
      6   0.533731D+01 -0.508607D+00  0.876432D+01 -0.165769D+02 -0.173578D+00
               101           102           103           104           105 
      1   0.221419D+01  0.665267D+01  0.406820D+01 -0.270403D+01  0.288929D+01
      2  -0.113904D+01 -0.216207D+01 -0.194304D+01  0.414386D+00  0.670360D+00
      3  -0.107515D+01 -0.449061D+01 -0.212516D+01  0.228964D+01 -0.355965D+01
      4   0.562713D+00  0.482334D+00  0.331890D+01 -0.293234D+01  0.269388D+01
      5   0.124601D+01  0.362158D+01  0.770680D+00  0.250237D+01 -0.479998D+01
      6  -0.798655D+00  0.517919D+00  0.138089D+01 -0.202931D+01  0.678114D+01
               106           107           108           109           110 
      1   0.647265D+01  0.136041D+01 -0.129648D+02  0.799761D+02  0.201278D+02
      2  -0.109311D+02  0.621504D+00 -0.226301D+02 -0.390617D+02 -0.942548D+01
      3   0.445841D+01 -0.198191D+01  0.355949D+02 -0.409145D+02 -0.107023D+02
      4  -0.152898D+01  0.624659D+01 -0.287082D+01  0.238988D+02  0.158153D+02
      5   0.195210D+02 -0.348479D+01  0.485790D+02  0.666381D+01  0.244514D+01
      6  -0.193873D+01  0.597464D+01 -0.722702D+01  0.288231D+01  0.169755D+01
               111           112           113           114           115 
      1   0.185274D+01  0.328057D+02  0.123492D+02  0.130835D+01 -0.150624D+02
      2  -0.218727D+01 -0.145352D+02 -0.280600D+01 -0.154788D+01  0.599184D+01
      3   0.334536D+00 -0.182704D+02 -0.954320D+01  0.239528D+00  0.907054D+01
      4   0.155123D+01  0.184512D+02  0.119855D+02 -0.868567D+00 -0.354493D+01
      5   0.100360D+02  0.410449D+01 -0.901013D+00  0.420372D+01  0.115813D+02
      6   0.748169D+00  0.185119D+01  0.104797D+01  0.175328D+01  0.464297D+00
               116           117           118           119           120 
      1  -0.289014D+01  0.637452D+01 -0.384912D+01 -0.971294D+01  0.231035D+01
      2   0.124042D+01 -0.576920D+01  0.420305D+01  0.141737D+02 -0.263659D+01
      3   0.164972D+01 -0.605322D+00 -0.353925D+00 -0.446076D+01  0.326242D+00
      4  -0.522217D+01  0.240417D+01  0.179581D+01 -0.297436D+01  0.202946D+01
      5   0.242580D+01  0.192287D+01 -0.512619D+00  0.328189D+01  0.565227D+00
      6   0.172363D+01 -0.794580D+00 -0.147197D+01 -0.315294D+01  0.170543D+01
               121           122           123           124           125 
      1  -0.638980D+01 -0.261336D+02  0.518890D+01  0.402302D+01  0.111244D+02
      2   0.543632D+01  0.407256D+02 -0.689676D+01 -0.295639D+01 -0.133251D+02
      3   0.953487D+00 -0.145920D+02  0.170786D+01 -0.106663D+01  0.220070D+01
      4   0.433253D+01 -0.202428D+02  0.168620D+01  0.113202D+01  0.518586D+01
      5   0.204996D+01  0.312664D+01 -0.534321D+01  0.391184D+01 -0.502135D+01
      6  -0.165384D+01 -0.663813D+01  0.743323D+01 -0.745967D+00  0.934875D+01
               126           127           128           129           130 
      1  -0.420889D+01  0.173344D+02 -0.452335D+01 -0.691510D+01 -0.253512D+00
      2   0.415751D+01 -0.106857D+02  0.173766D+01  0.478148D+01 -0.149677D+01
      3   0.513828D-01 -0.664875D+01  0.278570D+01  0.213361D+01  0.175028D+01
      4  -0.411051D+01 -0.145722D+02  0.116611D+02  0.121917D+02  0.974669D+01
      5   0.205317D+01 -0.179429D+02  0.110153D+02  0.201619D+02  0.629530D+01
      6  -0.463835D+01  0.857161D+01 -0.742818D+01 -0.942274D+01 -0.598065D+01
               131           132           133           134           135 
      1  -0.214691D+01  0.755342D+00 -0.121763D+02  0.295946D+01  0.381551D+01
      2   0.564118D+01  0.138115D+01  0.861514D+01 -0.533090D+00 -0.105422D+02
      3  -0.349428D+01 -0.213649D+01  0.356117D+01 -0.242637D+01  0.672670D+01
      4  -0.131945D+02 -0.937010D+01  0.182976D+02 -0.165795D+02 -0.171184D+02
      5  -0.895302D+01 -0.678062D+01  0.242528D+02 -0.159339D+02 -0.315146D+02
      6   0.709048D+01  0.865738D+01 -0.130795D+02  0.137584D+02  0.187336D+02
               136           137           138           139           140 
      1  -0.537530D+00  0.342006D+00 -0.523816D+01  0.302331D+01 -0.408237D+01
      2  -0.258971D+01 -0.114882D+01 -0.364086D+01 -0.227318D+01  0.175757D+01
      3   0.312724D+01  0.806817D+00  0.887902D+01 -0.750124D+00  0.232480D+01
      4   0.116190D+01  0.214517D+01  0.157761D+01  0.262039D+01 -0.209712D+01
      5   0.204296D+01  0.308620D+00  0.495766D+01 -0.161814D+01 -0.197504D+01
      6  -0.486954D+00  0.103342D+00  0.337574D+01 -0.155832D+01  0.883221D+00
               141           142           143           144           145 
      1   0.427058D+01 -0.272933D+01 -0.554099D+01 -0.326257D+02  0.355173D+01
      2   0.660255D+01  0.493421D-01  0.222469D+01 -0.220931D+02  0.466863D+01
      3  -0.108731D+02  0.267999D+01  0.331630D+01  0.547189D+02 -0.822035D+01
      4  -0.198174D+01  0.165309D+01 -0.283155D+01 -0.699627D+00 -0.107894D+02
      5   0.226539D+01  0.571557D+01 -0.130617D+01 -0.106599D+02 -0.266853D+01
      6   0.533814D+01  0.511574D+00  0.876036D+01  0.165599D+02  0.260417D+01
               146           147           148           149           150 
      1   0.350097D+01  0.162356D+01  0.253721D+01 -0.239376D+02 -0.669831D+01
      2  -0.110748D+02 -0.282860D+01 -0.108126D+02  0.463396D+02  0.699125D+01
      3   0.757379D+01  0.120504D+01  0.827544D+01 -0.224021D+02 -0.292940D+00
      4   0.181232D+02  0.337414D+01  0.166958D+02 -0.319036D+02 -0.749536D+01
      5   0.499021D+01  0.365827D+01  0.570266D+01 -0.857770D+01 -0.511005D+01
      6  -0.735778D+01 -0.362996D+01 -0.810551D+01  0.218447D+02  0.115456D+02
               151           152           153           154           155 
      1   0.263247D+01 -0.107124D+01 -0.604933D+01 -0.384242D+01  0.970196D+01
      2  -0.692711D+00 -0.365948D+01  0.222323D+01  0.419426D+01 -0.141588D+02
      3  -0.193976D+01  0.473072D+01  0.382610D+01 -0.351840D+00  0.445682D+01
      4  -0.167099D+01  0.990445D+00 -0.380955D+01 -0.179657D+01 -0.297199D+01
      5   0.159228D+01 -0.335227D+01 -0.224928D+01 -0.512092D+00 -0.328321D+01
      6  -0.192896D+01  0.723930D+01  0.413483D+01  0.147441D+01 -0.315907D+01
               156           157           158           159           160 
      1   0.231543D+01  0.638304D+01 -0.261244D+02 -0.519945D+01  0.402707D+01
      2  -0.264132D+01 -0.542665D+01  0.407132D+02  0.690991D+01 -0.295751D+01
      3   0.325887D+00 -0.956398D+00 -0.145888D+02 -0.171045D+01 -0.106956D+01
      4  -0.203003D+01  0.433607D+01  0.202502D+02  0.169470D+01 -0.112791D+01
      5   0.563940D+00 -0.204862D+01  0.313547D+01  0.534774D+01  0.391133D+01
      6  -0.170638D+01 -0.165455D+01  0.665790D+01  0.743985D+01  0.746200D+00
               161           162           163           164           165 
      1  -0.111338D+02 -0.421647D+01  0.173170D+02  0.451845D+01 -0.690798D+01
      2   0.133363D+02  0.416316D+01 -0.106738D+02 -0.173229D+01  0.477217D+01
      3  -0.220257D+01  0.533139D-01 -0.664316D+01 -0.278617D+01  0.213580D+01
      4   0.519837D+01  0.411671D+01  0.145647D+02  0.116613D+02 -0.121908D+02
      5   0.502783D+01  0.206079D+01 -0.179287D+02 -0.110148D+02  0.201502D+02
      6   0.935847D+01  0.464927D+01 -0.856866D+01 -0.742841D+01  0.941918D+01
               166           167           168           169           170 
      1   0.253172D+00 -0.214925D+01 -0.754949D+00 -0.121693D+02 -0.295608D+01
      2   0.149936D+01  0.564626D+01 -0.138187D+01  0.860498D+01  0.529298D+00
      3  -0.175254D+01 -0.349701D+01  0.213682D+01  0.356428D+01  0.242678D+01
      4   0.974977D+01  0.132038D+02 -0.937218D+01 -0.182982D+02 -0.165857D+02
      5  -0.629710D+01 -0.895483D+01  0.678580D+01  0.242428D+02  0.159403D+02
      6  -0.598206D+01 -0.709476D+01  0.866216D+01  0.130788D+02  0.137662D+02
               171           172           173           174           175 
      1   0.380411D+01  0.655080D+01 -0.221824D+01  0.664952D+01 -0.407178D+01
      2  -0.105306D+02 -0.574674D+01  0.114061D+01 -0.216776D+01  0.194532D+01
      3   0.672649D+01 -0.804060D+00  0.107763D+01 -0.448176D+01  0.212647D+01
      4   0.171232D+02 -0.305758D+01  0.566429D+00 -0.481789D+00  0.332101D+01
      5  -0.315130D+02  0.412825D+01 -0.124489D+01  0.363553D+01 -0.772335D+00
      6  -0.187409D+02  0.172477D+00 -0.796660D+00 -0.514711D+00  0.138210D+01
               176           177           178           179           180 
      1  -0.270022D+01 -0.288167D+01  0.647536D+01 -0.135425D+01 -0.129464D+02
      2   0.412083D+00 -0.668870D+00 -0.109412D+02 -0.618896D+00 -0.226422D+02
      3   0.228814D+01  0.355054D+01  0.446589D+01  0.197315D+01  0.355886D+02
      4   0.292909D+01  0.269442D+01  0.152549D+01  0.624748D+01  0.285948D+01
      5   0.250313D+01  0.478733D+01  0.195411D+02  0.347322D+01  0.486001D+02
      6   0.202379D+01  0.677764D+01  0.193562D+01  0.597147D+01  0.720912D+01
               181           182           183           184           185 
      1   0.799647D+02 -0.201321D+02  0.182842D+01 -0.328028D+02  0.123495D+02
      2  -0.390520D+02  0.942565D+01 -0.217399D+01  0.145314D+02 -0.280478D+01
      3  -0.409128D+02  0.107065D+02  0.345569D+00  0.182714D+02 -0.954473D+01
      4  -0.239060D+02  0.158178D+02 -0.154295D+01  0.184536D+02 -0.119865D+02
      5   0.662910D+01 -0.243593D+01  0.100320D+02 -0.408937D+01 -0.908965D+00
      6  -0.287691D+01  0.169532D+01 -0.747429D+00  0.184671D+01 -0.104428D+01
               186           187           188           189 
      1  -0.129889D+01 -0.150922D+02  0.289863D+01  0.637957D+01
      2   0.154354D+01  0.600716D+01 -0.124384D+01 -0.577086D+01
      3  -0.244651D+00  0.908501D+01 -0.165479D+01 -0.608712D+00
      4  -0.875746D+00  0.355575D+01 -0.523024D+01 -0.240815D+01
      5  -0.420346D+01  0.115855D+02 -0.242948D+01  0.191071D+01
      6   0.175308D+01 -0.464598D+00  0.172320D+01  0.794992D+00
 Leave Link  716 at Thu Jul  8 19:56:14 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123297D+03 -0.299274D-03  0.148541D+01
      2  -0.299274D-03  0.100105D+03  0.111785D-03
      3   0.148541D+01  0.111785D-03  0.948839D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.817452D+01 -0.388632D-03  0.186496D+01
      2  -0.185413D-02 -0.257887D+01  0.344532D-02
      3   0.255309D+02 -0.724732D-03 -0.365132D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.177335D-01 -0.257916D+02 -0.372995D-02
      2   0.525526D-02 -0.852027D+01 -0.110606D-01
      3   0.124783D-01  0.343119D+02  0.147906D-01
      4  -0.287813D+02 -0.125620D-02 -0.717693D+00
      5  -0.283729D-02  0.212654D+01  0.124751D-01
      6  -0.184152D+01 -0.129287D-01  0.167013D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.358651D+01  0.326271D+01 -0.556222D+01 -0.818464D+00 -0.352278D+01
      2   0.326271D+01 -0.449741D+01  0.101489D+01 -0.352278D+01 -0.262126D+01
      3  -0.556222D+01  0.101489D+01  0.295761D+01  0.200683D+01 -0.145141D+01
                 6             7             8             9            10 
      1   0.200683D+01 -0.242939D+01 -0.115890D+01  0.200436D+01  0.115584D+00
      2  -0.145141D+01 -0.115890D+01 -0.282970D+01  0.245900D+01  0.795748D+00
      3   0.359673D+01  0.200436D+01  0.245900D+01  0.276951D+01 -0.152814D+01
                11            12            13            14            15 
      1   0.795748D+00 -0.152814D+01  0.243327D+01 -0.108197D+01 -0.296445D+01
      2   0.861600D-01  0.678473D+00 -0.108197D+01  0.122093D+01  0.137760D+01
      3   0.678473D+00 -0.117781D+00 -0.296445D+01  0.137760D+01 -0.154446D+01
                16            17            18            19            20 
      1  -0.554055D+01 -0.111286D+01  0.128619D+01 -0.119819D-02 -0.491335D+00
      2  -0.111286D+01  0.317361D+01 -0.115718D+01 -0.491335D+00  0.788387D-04
      3   0.128619D+01 -0.115718D+01  0.142757D+00 -0.129734D-03 -0.155289D-01
                21            22            23            24            25 
      1  -0.129734D-03  0.212171D+01 -0.174431D-02  0.360479D+01  0.600503D-03
      2  -0.155289D-01 -0.174431D-02  0.787678D+00  0.491510D-04  0.521034D+01
      3   0.162273D-03  0.360479D+01  0.491510D-04 -0.236723D+01  0.215504D-02
                26            27            28            29            30 
      1   0.521034D+01  0.215504D-02  0.713635D+00 -0.375142D+01  0.333520D+01
      2   0.382887D-03 -0.122337D+01 -0.375142D+01 -0.205675D+00 -0.399493D+00
      3  -0.122337D+01 -0.135789D-02  0.333520D+01 -0.399493D+00  0.223834D+01
                31            32            33            34            35 
      1  -0.609035D+01  0.235209D+01 -0.144708D+00  0.492982D+01  0.136422D+01
      2   0.235209D+01  0.244562D+01  0.338016D+01  0.136422D+01  0.220359D+01
      3  -0.144708D+00  0.338016D+01  0.264847D+01  0.897901D+00  0.171456D+01
                36            37            38            39            40 
      1   0.897901D+00  0.139633D+01 -0.297313D+01  0.711995D+00 -0.243299D+01
      2   0.171456D+01 -0.297313D+01  0.313404D+01 -0.355765D+01  0.290981D+01
      3  -0.353406D+01  0.711995D+00 -0.355765D+01 -0.369230D+01 -0.129842D+01
                41            42            43            44            45 
      1   0.290981D+01 -0.129842D+01  0.245014D+01 -0.434133D+01 -0.306918D+01
      2  -0.221165D+01 -0.244018D+01 -0.434133D+01 -0.254146D+01 -0.532716D-01
      3  -0.244018D+01 -0.469070D+00 -0.306918D+01 -0.532716D-01  0.684836D+00
                46            47            48            49            50 
      1  -0.358570D+01  0.326016D+01  0.556208D+01 -0.818916D+00  0.352332D+01
      2   0.326016D+01  0.449674D+01  0.101624D+01  0.352332D+01 -0.262284D+01
      3   0.556208D+01  0.101624D+01 -0.295992D+01  0.200876D+01  0.144848D+01
                51            52            53            54            55 
      1   0.200876D+01  0.242775D+01 -0.115778D+01 -0.200710D+01 -0.109804D+00
      2   0.144848D+01 -0.115778D+01  0.282644D+01  0.246003D+01  0.795862D+00
      3   0.359672D+01 -0.200710D+01  0.246003D+01 -0.276572D+01  0.152868D+01
                56            57            58            59            60 
      1   0.795862D+00  0.152868D+01  0.243137D+01  0.108321D+01 -0.296378D+01
      2  -0.869796D-01  0.678069D+00  0.108321D+01  0.122357D+01 -0.137589D+01
      3   0.678069D+00  0.117899D+00 -0.296378D+01 -0.137589D+01 -0.154444D+01
                61            62            63            64            65 
      1   0.554141D+01 -0.111277D+01 -0.128835D+01 -0.139842D+01 -0.297699D+01
      2  -0.111277D+01 -0.317224D+01 -0.115889D+01 -0.297699D+01 -0.313046D+01
      3  -0.128835D+01 -0.115889D+01 -0.144138D+00 -0.711308D+00 -0.355960D+01
                66            67            68            69            70 
      1  -0.711308D+00 -0.243461D+01 -0.290646D+01 -0.129991D+01 -0.244942D+01
      2  -0.355960D+01 -0.290646D+01 -0.221392D+01  0.244115D+01 -0.434222D+01
      3   0.368917D+01 -0.129991D+01  0.244115D+01 -0.465678D+00  0.306705D+01
                71            72            73            74            75 
      1  -0.434222D+01  0.306705D+01 -0.721095D+00 -0.375021D+01 -0.333773D+01
      2   0.254197D+01 -0.487450D-01 -0.375021D+01  0.206448D+00 -0.396893D+00
      3  -0.487450D-01 -0.688994D+00 -0.333773D+01 -0.396893D+00 -0.223510D+01
                76            77            78            79            80 
      1  -0.608816D+01 -0.235307D+01 -0.142781D+00 -0.493220D+01  0.136606D+01
      2  -0.235307D+01  0.244879D+01 -0.338039D+01  0.136606D+01 -0.220383D+01
      3  -0.142781D+00 -0.338039D+01  0.264482D+01 -0.893067D+00  0.171167D+01
                81            82            83            84            85 
      1  -0.893067D+00  0.172824D+01  0.160667D+01 -0.165289D+00  0.298293D+01
      2   0.171167D+01  0.160667D+01  0.333392D+01 -0.849073D+00  0.307927D+01
      3   0.353855D+01 -0.165289D+00 -0.849073D+00  0.350748D+00 -0.978554D+00
                86            87            88            89            90 
      1   0.307927D+01 -0.978554D+00  0.103148D+01 -0.145071D-01  0.258806D+00
      2   0.984232D+01 -0.212484D+01 -0.145071D-01  0.433749D+00  0.124991D+01
      3  -0.212484D+01  0.173318D+01  0.258806D+00  0.124991D+01 -0.127787D+01
                91            92            93            94            95 
      1  -0.998151D+00 -0.103350D+00 -0.329713D+00 -0.996882D+00  0.585273D+00
      2  -0.103350D+00  0.232597D+00 -0.177942D-01  0.585273D+00  0.456761D+00
      3  -0.329713D+00 -0.177942D-01 -0.176958D+01 -0.343865D+00 -0.116499D+01
                96            97            98            99           100 
      1  -0.343865D+00 -0.170845D+01  0.899432D-01 -0.255732D+00  0.884240D+00
      2  -0.116499D+01  0.899432D-01 -0.155467D+01  0.107761D+01  0.638899D+00
      3  -0.189095D+01 -0.255732D+00  0.107761D+01 -0.103572D+02  0.794502D+00
               101           102           103           104           105 
      1   0.638899D+00  0.794502D+00  0.603844D+00  0.294044D+00  0.197776D+00
      2  -0.266570D+00  0.296747D+00  0.294044D+00 -0.616852D+00  0.580679D+00
      3   0.296747D+00 -0.468621D+00  0.197776D+00  0.580679D+00 -0.104679D+01
               106           107           108           109           110 
      1   0.253007D+01 -0.361254D+00  0.274425D+01  0.108071D+02  0.289709D+01
      2  -0.361254D+00  0.121012D+01 -0.740480D+00  0.289709D+01  0.188991D+01
      3   0.274425D+01 -0.740480D+00  0.968703D+01  0.495360D+00  0.183007D+00
               111           112           113           114           115 
      1   0.495360D+00  0.526560D+01  0.199616D+01  0.263988D+00 -0.215930D+01
      2   0.183007D+00  0.199616D+01  0.142149D+01 -0.191864D+00 -0.395329D+00
      3   0.110744D+01  0.263988D+00 -0.191864D+00  0.566746D+00  0.144705D+01
               116           117           118           119           120 
      1  -0.395329D+00  0.144705D+01 -0.476145D+00 -0.572595D+00  0.578639D-01
      2  -0.941612D+00  0.250974D+00 -0.572595D+00 -0.289139D+01  0.986732D+00
      3   0.250974D+00  0.498651D+00  0.578639D-01  0.986732D+00 -0.279794D+00
               121           122           123           124           125 
      1  -0.138770D+01 -0.435241D+00  0.425579D+00  0.855253D+00  0.781234D+00
      2  -0.435241D+00 -0.781062D+01  0.110331D+01  0.781234D+00  0.243940D+01
      3   0.425579D+00  0.110331D+01 -0.131266D+01  0.351004D+00 -0.152796D+01
               126           127           128           129           130 
      1   0.351004D+00  0.348478D+01 -0.155403D+01 -0.222046D+01 -0.619679D+00
      2  -0.152796D+01 -0.155403D+01  0.137133D+01  0.167181D+01  0.119687D+01
      3   0.927642D+00 -0.222046D+01  0.167181D+01  0.287624D+01  0.103290D+01
               131           132           133           134           135 
      1   0.119687D+01  0.103290D+01 -0.416859D+01  0.254327D+01  0.351482D+01
      2  -0.252011D+01 -0.142223D+01  0.254327D+01 -0.270775D+01 -0.266107D+01
      3  -0.142223D+01 -0.109767D+01  0.351482D+01 -0.266107D+01 -0.537227D+01
               136           137           138           139           140 
      1   0.999499D+00 -0.103349D+00  0.329655D+00 -0.997347D+00 -0.584985D+00
      2  -0.103349D+00 -0.232089D+00 -0.178153D-01 -0.584985D+00  0.455991D+00
      3   0.329655D+00 -0.178153D-01  0.177192D+01 -0.344355D+00  0.116533D+01
               141           142           143           144           145 
      1  -0.344355D+00  0.170851D+01  0.899445D-01  0.258007D+00 -0.172875D+01
      2   0.116533D+01  0.899445D-01  0.155435D+01  0.107583D+01  0.160655D+01
      3  -0.189200D+01  0.258007D+00  0.107583D+01  0.103558D+02  0.165850D+00
               146           147           148           149           150 
      1   0.160655D+01  0.165850D+00  0.298323D+01 -0.307882D+01 -0.979210D+00
      2  -0.333371D+01 -0.849795D+00 -0.307882D+01  0.984023D+01  0.212649D+01
      3  -0.849795D+00 -0.351147D+00 -0.979210D+00  0.212649D+01  0.173390D+01
               151           152           153           154           155 
      1  -0.103034D+01 -0.151315D-01 -0.258672D+00  0.475715D+00 -0.570934D+00
      2  -0.151315D-01 -0.431249D+00  0.125001D+01 -0.570934D+00  0.288878D+01
      3  -0.258672D+00  0.125001D+01  0.127868D+01 -0.583205D-01  0.987683D+00
               156           157           158           159           160 
      1  -0.583205D-01 -0.138656D+01  0.433290D+00  0.425679D+00 -0.856413D+00
      2   0.987683D+00  0.433290D+00 -0.780981D+01 -0.110640D+01  0.780670D+00
      3   0.280242D+00  0.425679D+00 -0.110640D+01 -0.131384D+01 -0.350900D+00
               161           162           163           164           165 
      1   0.780670D+00 -0.350900D+00 -0.348149D+01 -0.155316D+01  0.221891D+01
      2  -0.244289D+01 -0.152983D+01 -0.155316D+01 -0.137150D+01  0.167194D+01
      3  -0.152983D+01 -0.929881D+00  0.221891D+01  0.167194D+01 -0.287433D+01
               166           167           168           169           170 
      1  -0.620002D+00 -0.119760D+01  0.103331D+01  0.416744D+01  0.254378D+01
      2  -0.119760D+01 -0.252175D+01  0.142262D+01  0.254378D+01  0.270905D+01
      3   0.103331D+01  0.142262D+01 -0.109880D+01 -0.351353D+01 -0.266259D+01
               171           172           173           174           175 
      1  -0.351353D+01 -0.885916D+00  0.639161D+00 -0.794942D+00  0.604741D+00
      2  -0.266259D+01  0.639161D+00  0.265753D+00  0.296205D+00 -0.294414D+00
      3   0.537300D+01 -0.794942D+00  0.296205D+00  0.465849D+00  0.197907D+00
               176           177           178           179           180 
      1  -0.294414D+00  0.197907D+00 -0.253144D+01 -0.360782D+00 -0.274735D+01
      2  -0.616010D+00 -0.580404D+00 -0.360782D+00 -0.120988D+01 -0.737902D+00
      3  -0.580404D+00 -0.104394D+01 -0.274735D+01 -0.737902D+00 -0.968797D+01
               181           182           183           184           185 
      1  -0.108050D+02  0.289765D+01 -0.491844D+00  0.526495D+01 -0.199626D+01
      2   0.289765D+01 -0.188996D+01  0.181865D+00 -0.199626D+01  0.142145D+01
      3  -0.491844D+00  0.181865D+00 -0.110704D+01  0.262502D+00  0.192736D+00
               186           187           188           189 
      1   0.262502D+00  0.216363D+01 -0.396592D+00 -0.144771D+01
      2   0.192736D+00 -0.396592D+00  0.942621D+00  0.251695D+00
      3   0.566959D+00 -0.144771D+01  0.251695D+00 -0.496984D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418463D+01  0.509435D+01 -0.677099D+01  0.527930D+01  0.880794D+01
      2  -0.207045D+01  0.229155D+01  0.216987D+01  0.443818D+01 -0.770016D+01
      3   0.232761D+00  0.418549D+01 -0.685597D+01  0.654923D+01 -0.265681D+01
                 6             7             8             9            10 
      1  -0.802433D+01 -0.351206D+01  0.400619D+01 -0.100411D+02 -0.168327D+00
      2   0.616701D+01 -0.528634D+01  0.221018D+01  0.649976D+01 -0.125997D+01
      3   0.352348D+01 -0.624589D+01  0.252775D+01  0.100693D+01  0.443243D+01
                11            12            13            14            15 
      1   0.105336D+01  0.253756D+01 -0.231543D+01  0.671219D+00 -0.422450D+01
      2  -0.352810D+00  0.405118D+01 -0.213117D+01  0.234536D+01 -0.551182D+01
      3  -0.807894D+01  0.161980D+00  0.131632D+02 -0.355513D+01 -0.202999D+01
                16            17            18            19            20 
      1  -0.720042D+01  0.445312D+01  0.669509D-01  0.160098D-02 -0.230490D+01
      2  -0.951986D+01  0.206586D+01  0.898566D-01 -0.384216D+01 -0.878737D-03
      3  -0.664104D+00 -0.660033D+01  0.300772D+01  0.367642D-04 -0.522372D+01
                21            22            23            24            25 
      1  -0.227294D-03  0.359469D+01 -0.405235D-03 -0.845949D+00 -0.106651D-02
      2   0.619389D+01 -0.210464D-03 -0.577713D+00  0.310298D-03 -0.138008D+02
      3   0.526502D-04  0.141513D+02 -0.267167D-02 -0.430547D+00  0.393894D-03
                26            27            28            29            30 
      1   0.376935D+01  0.206998D-02 -0.364409D+01  0.126077D+01  0.288692D+00
      2  -0.632373D-03  0.118524D+01  0.138733D+02  0.268075D+01  0.896898D+01
      3   0.569972D+01  0.232910D-02  0.100973D+02 -0.282141D+01  0.353035D+00
                31            32            33            34            35 
      1  -0.139526D+01  0.426427D+01  0.654742D+00  0.279223D+01  0.526582D+01
      2   0.461117D+01  0.100918D+02  0.848048D+01 -0.537725D+01  0.434023D+01
      3  -0.246876D+01 -0.916125D+01 -0.100834D+02 -0.307235D+01 -0.930958D+01
                36            37            38            39            40 
      1   0.288375D+01  0.178476D+01 -0.855142D+01 -0.443691D+01 -0.527464D+01
      2  -0.136978D+02 -0.645020D+00 -0.788620D+01 -0.614258D+01 -0.524070D+01
      3  -0.701257D+01  0.803830D+01 -0.892162D+01  0.776603D+01  0.130019D+00
                41            42            43            44            45 
      1  -0.514608D+01 -0.306299D+01 -0.633756D+01  0.616842D+01  0.135445D+01
      2  -0.408037D+01 -0.256941D+01 -0.802473D+01 -0.209984D+01 -0.337127D+00
      3  -0.343449D-02  0.105965D+02  0.905680D+01  0.142779D+02  0.716348D+01
                46            47            48            49            50 
      1  -0.418651D+01  0.509311D+01  0.677626D+01  0.527821D+01 -0.880602D+01
      2  -0.207073D+01 -0.229058D+01  0.217128D+01 -0.443767D+01 -0.769782D+01
      3  -0.233283D+00  0.418077D+01  0.685622D+01  0.654512D+01  0.265481D+01
                51            52            53            54            55 
      1  -0.802774D+01  0.352024D+01  0.400036D+01  0.100352D+02  0.168336D+00
      2  -0.616908D+01 -0.528317D+01 -0.221392D+01  0.649895D+01 -0.126062D+01
      3   0.352241D+01  0.624479D+01  0.252679D+01 -0.100955D+01 -0.443089D+01
                56            57            58            59            60 
      1   0.105294D+01 -0.253783D+01 -0.231733D+01 -0.671720D+00 -0.422392D+01
      2   0.353208D+00  0.405177D+01  0.213084D+01  0.234293D+01  0.551154D+01
      3  -0.807952D+01 -0.161987D+00  0.131645D+02  0.355980D+01 -0.202611D+01
                61            62            63            64            65 
      1   0.720027D+01  0.445245D+01 -0.657429D-01 -0.178217D+01 -0.855078D+01
      2  -0.951842D+01 -0.206272D+01  0.919203D-01 -0.645171D+00  0.789218D+01
      3   0.664835D+00 -0.659841D+01 -0.301135D+01 -0.804540D+01 -0.890498D+01
                66            67            68            69            70 
      1   0.443337D+01 -0.527351D+01  0.514782D+01 -0.305597D+01  0.633581D+01
      2  -0.613627D+01  0.524366D+01 -0.408592D+01  0.256110D+01 -0.802011D+01
      3  -0.777418D+01  0.145301D+00 -0.963002D-02  0.106036D+02 -0.906017D+01
                71            72            73            74            75 
      1   0.617688D+01 -0.135914D+01  0.364197D+01  0.126041D+01 -0.290003D+00
      2   0.208737D+01 -0.324612D+00  0.138757D+02 -0.268764D+01  0.895669D+01
      3   0.142828D+02 -0.714848D+01 -0.100938D+02 -0.282268D+01 -0.345257D+00
                76            77            78            79            80 
      1  -0.139417D+01 -0.426471D+01  0.651876D+00 -0.279432D+01  0.526282D+01
      2  -0.461507D+01  0.100927D+02 -0.846749D+01 -0.539497D+01 -0.432825D+01
      3  -0.247376D+01  0.917371D+01 -0.100862D+02  0.307592D+01 -0.931102D+01
                81            82            83            84            85 
      1  -0.288100D+01 -0.259273D+01 -0.377557D+01 -0.334326D+00 -0.263732D+01
      2  -0.137085D+02  0.197388D+01  0.106604D+01  0.114284D+01  0.270519D+01
      3   0.700219D+01  0.137936D+01 -0.310401D+01  0.860757D+00  0.449600D+01
                86            87            88            89            90 
      1  -0.112068D+02 -0.226252D+01 -0.458538D+00 -0.150554D+01  0.411776D+00
      2   0.182228D+01  0.143386D+01 -0.113436D+00  0.138117D+01 -0.987099D+00
      3  -0.488852D+01  0.543596D+00  0.128795D+01 -0.648910D-01 -0.729115D+00
                91            92            93            94            95 
      1   0.162373D+01  0.743984D-01  0.334956D+01 -0.217496D+00  0.149087D+01
      2  -0.306839D+01 -0.498950D+00 -0.112419D+01 -0.201020D+01 -0.702696D+00
      3  -0.833002D+00 -0.577588D+00 -0.389831D+00 -0.444806D+00  0.592775D-01
                96            97            98            99           100 
      1   0.326391D+01  0.372899D+00  0.365018D+01  0.139332D+02  0.107872D+01
      2  -0.295953D+01 -0.608575D+01  0.114284D+01 -0.111960D+02  0.262668D+01
      3   0.402000D+00 -0.235838D+01  0.114952D+01 -0.147348D+01 -0.150618D+01
               101           102           103           104           105 
      1  -0.516920D-01  0.347200D+00  0.108809D+00 -0.783345D+00 -0.763309D+00
      2   0.333124D+00 -0.155091D+01 -0.326417D+00  0.166797D+01 -0.342550D+01
      3  -0.168156D+00 -0.112324D+01 -0.217801D+00  0.164306D+01 -0.138121D+01
               106           107           108           109           110 
      1  -0.169818D-01  0.415359D+01  0.146599D+01  0.345614D+01  0.181553D+01
      2   0.256628D+01 -0.187076D+01  0.275326D+02 -0.700576D+01 -0.157446D+01
      3   0.740803D+00 -0.380283D+01  0.198617D+01 -0.856400D+01 -0.893979D+01
               111           112           113           114           115 
      1  -0.625349D+00  0.225578D+01  0.125948D+01 -0.115690D+01 -0.504727D+00
      2   0.576224D+01 -0.285794D+01 -0.220418D+01  0.244339D+01  0.483884D+01
      3  -0.670034D+00 -0.377479D+01 -0.462921D+01  0.639687D+00  0.101329D+01
               116           117           118           119           120 
      1   0.350474D+00  0.714812D+00  0.771568D+00  0.274336D+01 -0.167380D+01
      2   0.128599D+01  0.440718D+00  0.562694D+00  0.146281D+01 -0.319349D-01
      3   0.278113D+01 -0.741523D+00  0.263436D+01  0.830595D+01 -0.315832D+01
               121           122           123           124           125 
      1   0.718043D+00  0.456015D+01 -0.513575D+01  0.401853D+00 -0.244469D+01
      2   0.759507D+00  0.186457D+01 -0.209926D+01 -0.251182D+00 -0.297846D+01
      3   0.655659D+01  0.209904D+02 -0.360916D+01 -0.415404D+01 -0.781568D+01
               126           127           128           129           130 
      1   0.262028D+01 -0.347364D+01  0.148921D+01  0.470776D+01  0.131279D+01
      2   0.146829D+01 -0.269493D+01  0.348851D+01  0.738049D+01  0.169087D+01
      3   0.370973D+01 -0.167616D+01 -0.229368D+01 -0.106172D+01 -0.234651D+00
               131           132           133           134           135 
      1  -0.853818D+00 -0.258837D+01  0.449253D+01 -0.954305D+00 -0.816053D+01
      2  -0.281515D+01 -0.266667D+01  0.332531D+01 -0.455150D+01 -0.107782D+02
      3   0.509013D+01  0.198526D+01  0.163280D+00  0.400634D+01  0.146910D+01
               136           137           138           139           140 
      1  -0.162454D+01  0.762444D-01 -0.335229D+01 -0.216471D+00 -0.149213D+01
      2  -0.307230D+01  0.499140D+00 -0.112581D+01  0.201241D+01 -0.703399D+00
      3   0.833972D+00 -0.576913D+00  0.389935D+00 -0.444469D+00 -0.597408D-01
               141           142           143           144           145 
      1   0.326523D+01 -0.376312D+00  0.365291D+01 -0.139290D+02  0.259260D+01
      2   0.296110D+01 -0.608937D+01 -0.114057D+01 -0.111961D+02  0.197464D+01
      3   0.401582D+00  0.235711D+01  0.114809D+01  0.147378D+01 -0.137983D+01
               146           147           148           149           150 
      1  -0.377604D+01  0.333497D+00 -0.263671D+01  0.112054D+02 -0.225959D+01
      2  -0.106575D+01  0.114249D+01 -0.270622D+01  0.182213D+01 -0.143336D+01
      3  -0.310379D+01 -0.861014D+00  0.449568D+01  0.488564D+01  0.543739D+00
               151           152           153           154           155 
      1   0.456990D+00 -0.150161D+01 -0.412525D+00 -0.771352D+00  0.274209D+01
      2  -0.114795D+00 -0.138031D+01 -0.988030D+00  0.564136D+00 -0.146566D+01
      3  -0.128686D+01 -0.632496D-01  0.729442D+00 -0.262990D+01  0.829508D+01
               156           157           158           159           160 
      1   0.167374D+01  0.717280D+00 -0.456011D+01 -0.513805D+01 -0.402069D+00
      2  -0.335348D-01 -0.761845D+00  0.187261D+01  0.210272D+01 -0.252413D+00
      3   0.316165D+01  0.654780D+01 -0.209852D+02 -0.361765D+01  0.415495D+01
               161           162           163           164           165 
      1  -0.244751D+01 -0.262473D+01  0.347232D+01  0.149069D+01 -0.470593D+01
      2   0.298329D+01  0.147284D+01 -0.269445D+01 -0.348996D+01  0.737694D+01
      3  -0.782376D+01 -0.371517D+01  0.167454D+01 -0.229489D+01  0.106440D+01
               166           167           168           169           170 
      1   0.131362D+01  0.854711D+00 -0.259104D+01 -0.449222D+01 -0.957600D+00
      2  -0.169122D+01 -0.281571D+01  0.266918D+01  0.332413D+01  0.455522D+01
      3  -0.235704D+00 -0.509287D+01  0.198525D+01 -0.161439D+00  0.400765D+01
               171           172           173           174           175 
      1   0.816365D+01 -0.107814D+01 -0.499818D-01 -0.347353D+00  0.108966D+00
      2  -0.107814D+02  0.262492D+01 -0.331598D+00 -0.154212D+01  0.326981D+00
      3  -0.147376D+01  0.150745D+01 -0.170712D+00  0.112150D+01 -0.218801D+00
               176           177           178           179           180 
      1   0.782060D+00 -0.762303D+00  0.166988D-01  0.415363D+01 -0.146287D+01
      2   0.166666D+01  0.341680D+01  0.257654D+01  0.186391D+01  0.275355D+02
      3  -0.164102D+01 -0.138012D+01 -0.741224D+00 -0.380334D+01 -0.197904D+01
               181           182           183           184           185 
      1  -0.345490D+01  0.181394D+01  0.627366D+00  0.225519D+01 -0.125882D+01
      2  -0.701030D+01  0.157724D+01  0.576417D+01  0.285984D+01 -0.220596D+01
      3   0.856209D+01 -0.893968D+01  0.665947D+00 -0.377356D+01  0.462851D+01
               186           187           188           189 
      1  -0.115799D+01  0.506612D+00  0.349850D+00 -0.715493D+00
      2  -0.244537D+01  0.484387D+01 -0.128894D+01  0.434181D+00
      3   0.642252D+00 -0.101567D+01  0.278536D+01  0.743158D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883582D+01  0.154607D+02 -0.488791D+01  0.771623D+01 -0.289286D+01
      2  -0.164672D+01 -0.186812D+02  0.127887D+02 -0.115535D+02 -0.161598D+02
      3   0.104825D+02  0.322049D+01 -0.790083D+01  0.383723D+01  0.190527D+02
      4   0.716622D+01 -0.567190D+01 -0.385834D+01 -0.875300D+01 -0.174734D+02
      5  -0.147302D+02 -0.229990D+01  0.132286D+02  0.138698D+01  0.284301D+01
      6  -0.163660D+02  0.834133D+01  0.268059D+01  0.969211D+01 -0.340151D-01
                 6             7             8             9            10 
      1   0.103265D+02  0.751447D+00  0.673549D+01  0.101444D+02  0.135212D+01
      2   0.871298D+00  0.451666D+01 -0.312932D+01  0.133052D+02 -0.256133D+01
      3  -0.111978D+02 -0.526810D+01 -0.360616D+01 -0.234495D+02  0.120921D+01
      4   0.654461D+00 -0.687686D+01 -0.409082D+01  0.811780D+01  0.407999D+01
      5   0.391083D+01  0.105637D+02  0.564325D+01 -0.332950D+01 -0.135876D+02
      6   0.800201D+01  0.522136D+01  0.828649D+01 -0.478873D+01  0.219909D+01
                11            12            13            14            15 
      1   0.673647D+00 -0.630952D+01 -0.155034D+01 -0.135530D+01 -0.568721D+01
      2   0.250734D+01  0.229063D+01  0.510307D+01 -0.281172D+00  0.198711D+01
      3  -0.318098D+01  0.401890D+01 -0.355273D+01  0.163647D+01  0.370010D+01
      4  -0.120266D+01  0.469203D+01 -0.691489D+01  0.879666D+01  0.271748D+01
      5   0.629560D+01 -0.718925D+00 -0.180276D+01  0.107392D+01 -0.335199D+01
      6  -0.222501D+01  0.138015D+01 -0.436845D+01  0.192943D+01 -0.424168D+00
                16            17            18            19            20 
      1  -0.111071D+02 -0.366410D+01 -0.670962D+00 -0.530290D+01 -0.185951D-02
      2   0.594175D+01  0.208980D+01 -0.276837D+01  0.775689D+01 -0.325798D-03
      3   0.516537D+01  0.157429D+01  0.343933D+01 -0.245398D+01  0.218531D-02
      4   0.132527D+01  0.679680D+01 -0.263952D+01 -0.373133D-02 -0.267850D+00
      5  -0.148039D+01 -0.154841D+01  0.419721D+00  0.145067D+02  0.118796D-02
      6   0.519833D+01 -0.136888D+01  0.176943D+01  0.286093D-02  0.284220D+01
                21            22            23            24            25 
      1   0.196364D+01 -0.135793D-02 -0.962740D+00  0.244986D-02 -0.550827D+01
      2  -0.348564D+01 -0.172256D-02  0.406999D+01 -0.115944D-02  0.491027D+00
      3   0.152199D+01  0.308050D-02 -0.310725D+01 -0.129043D-02  0.501725D+01
      4   0.207923D-02 -0.364763D+01  0.182744D-02  0.538653D+00  0.535622D-02
      5  -0.948793D+01  0.548969D-02  0.335667D+00  0.462626D-03 -0.158959D+02
      6  -0.137258D-03  0.787047D+01  0.224904D-03 -0.302101D+01  0.107291D-02
                26            27            28            29            30 
      1  -0.282093D-03 -0.283224D+01 -0.103571D+02 -0.206663D+02  0.175263D+02
      2   0.150654D-02  0.996962D+00  0.365182D+00  0.944137D+01 -0.101817D+02
      3  -0.122445D-02  0.183528D+01  0.999195D+01  0.112249D+02 -0.734452D+01
      4   0.661030D+00 -0.544066D-03 -0.269817D+02 -0.162765D+01 -0.400195D+01
      5  -0.940434D-03  0.475211D+01  0.235537D+02 -0.471443D+01  0.144260D+02
      6  -0.230018D+01 -0.194873D-02 -0.602867D+01  0.501845D+00 -0.328509D+01
                31            32            33            34            35 
      1  -0.305631D+02  0.566953D+01 -0.243929D+00  0.301191D+02  0.316779D+01
      2   0.141235D+02 -0.671525D+01 -0.364762D+01 -0.133523D+02 -0.568031D+01
      3   0.164396D+02  0.104572D+01  0.389154D+01 -0.167668D+02  0.251252D+01
      4   0.662438D+01  0.136017D+02  0.160922D+02  0.289883D+01  0.121612D+02
      5  -0.510505D+01  0.183815D+02  0.113868D+02  0.103295D+02  0.744617D+01
      6  -0.385983D+00  0.263019D+01  0.177475D+01 -0.250188D+01  0.174801D+01
                36            37            38            39            40 
      1   0.197357D+02 -0.334172D+00 -0.554437D+01 -0.661419D+01 -0.412201D+01
      2   0.212306D+01  0.807602D+01 -0.851589D+01  0.501595D+01 -0.819391D+01
      3  -0.218588D+02 -0.774185D+01  0.140603D+02  0.159825D+01  0.123159D+02
      4   0.615998D+01 -0.106777D+02  0.133539D+02 -0.136072D+02  0.173483D+02
      5  -0.148600D+02  0.654654D+01 -0.156582D+02 -0.177483D+02 -0.792337D+01
      6   0.398209D+01 -0.431316D-01  0.889401D+01  0.991181D+01  0.592940D+01
                41            42            43            44            45 
      1   0.123471D+02 -0.120762D+02 -0.670988D+00 -0.212222D+02 -0.137661D+02
      2  -0.422871D+01  0.135006D+02  0.206801D+01  0.185287D+02  0.987131D+01
      3  -0.811840D+01 -0.142444D+01 -0.139702D+01  0.269347D+01  0.389479D+01
      4  -0.214016D+02 -0.366155D+01 -0.183312D+02 -0.299480D+01  0.573926D+01
      5  -0.769484D+01  0.273511D+00 -0.163968D+02  0.263132D+01  0.801551D+01
      6   0.664834D+01 -0.190122D+01  0.122531D+02 -0.426638D+01 -0.359303D+01
                46            47            48            49            50 
      1  -0.883714D+01 -0.154559D+02 -0.488171D+01 -0.771884D+01 -0.288693D+01
      2  -0.165442D+01  0.186741D+02  0.127973D+02  0.115482D+02 -0.161585D+02
      3   0.104916D+02 -0.321824D+01 -0.791555D+01 -0.382939D+01  0.190454D+02
      4  -0.715398D+01 -0.567370D+01  0.385237D+01 -0.875509D+01  0.174731D+02
      5  -0.147279D+02  0.229336D+01  0.132303D+02 -0.139654D+01  0.285194D+01
      6   0.163587D+02  0.834508D+01 -0.267839D+01  0.969823D+01  0.187821D-01
                51            52            53            54            55 
      1  -0.103264D+02  0.759771D+00 -0.673450D+01  0.101412D+02  0.133399D+01
      2  -0.879698D+00  0.452573D+01  0.311540D+01  0.132964D+02 -0.255213D+01
      3   0.112061D+02 -0.528550D+01  0.361910D+01 -0.234376D+02  0.121814D+01
      4   0.664065D+00  0.686994D+01 -0.408036D+01 -0.811935D+01 -0.408306D+01
      5  -0.390523D+01  0.105664D+02 -0.564205D+01 -0.334471D+01 -0.135915D+02
      6   0.799482D+01 -0.522177D+01  0.828033D+01  0.480195D+01 -0.219885D+01
                56            57            58            59            60 
      1  -0.675239D+00 -0.631028D+01  0.155318D+01 -0.135976D+01  0.568506D+01
      2  -0.250511D+01  0.229231D+01 -0.510277D+01 -0.278696D+00 -0.198649D+01
      3   0.318035D+01  0.401797D+01  0.354959D+01  0.163846D+01 -0.369857D+01
      4  -0.119962D+01 -0.469171D+01 -0.691747D+01 -0.880252D+01  0.271314D+01
      5  -0.629367D+01 -0.720495D+00  0.180568D+01  0.107146D+01  0.335195D+01
      6  -0.222544D+01 -0.138021D+01 -0.436656D+01 -0.192593D+01 -0.422696D+00
                61            62            63            64            65 
      1  -0.111119D+02  0.366596D+01 -0.663277D+00 -0.329553D+00  0.556878D+01
      2   0.594397D+01 -0.209182D+01 -0.277155D+01  0.807974D+01  0.849131D+01
      3   0.516794D+01 -0.157415D+01  0.343483D+01 -0.775019D+01 -0.140601D+02
      4  -0.132536D+01  0.679308D+01  0.264617D+01  0.106935D+02  0.133490D+02
      5  -0.147171D+01  0.155498D+01  0.426035D+00  0.653751D+01  0.156656D+02
      6  -0.519659D+01 -0.136707D+01 -0.177105D+01  0.419941D-01  0.890286D+01
                66            67            68            69            70 
      1  -0.662099D+01  0.413880D+01  0.123341D+02  0.120859D+02 -0.678891D+00
      2   0.502944D+01  0.817526D+01 -0.421443D+01 -0.135099D+02  0.207894D+01
      3   0.159155D+01 -0.123141D+02 -0.811970D+01  0.142399D+01 -0.140005D+01
      4   0.136140D+02  0.173411D+02  0.213994D+02 -0.365996D+01  0.183339D+02
      5  -0.177343D+02  0.792838D+01 -0.769481D+01 -0.285729D+00 -0.163850D+02
      6  -0.990584D+01  0.593606D+01 -0.665439D+01 -0.191525D+01 -0.122494D+02
                71            72            73            74            75 
      1   0.212270D+02 -0.137419D+02 -0.103175D+02  0.206646D+02  0.175529D+02
      2  -0.185344D+02  0.985245D+01  0.343483D+00 -0.943822D+01 -0.101895D+02
      3  -0.269259D+01  0.388941D+01  0.997405D+01 -0.112264D+02 -0.736337D+01
      4  -0.299322D+01 -0.575303D+01  0.269773D+02 -0.163312D+01  0.398663D+01
      5  -0.264800D+01  0.802984D+01  0.235828D+02  0.469777D+01  0.144115D+02
      6  -0.428263D+01  0.360267D+01  0.602111D+01  0.500402D+00  0.327895D+01
                76            77            78            79            80 
      1   0.305545D+02  0.567281D+01  0.226495D+00  0.301466D+02 -0.318446D+01
      2  -0.141160D+02 -0.671559D+01  0.365042D+01 -0.133580D+02  0.568144D+01
      3  -0.164386D+02  0.104278D+01 -0.387692D+01 -0.167887D+02 -0.249698D+01
      4   0.662510D+01 -0.136191D+02  0.160936D+02 -0.291357D+01  0.121618D+02
      5   0.508477D+01  0.183830D+02 -0.113743D+02  0.103011D+02 -0.743558D+01
      6  -0.385926D+00 -0.263420D+01  0.177784D+01  0.249731D+01  0.175036D+01
                81            82            83            84            85 
      1   0.197094D+02  0.355121D+01 -0.350035D+01  0.162328D+01 -0.253761D+01
      2   0.214328D+01  0.467030D+01  0.110780D+02 -0.282765D+01  0.108177D+02
      3  -0.218527D+02 -0.822151D+01 -0.757765D+01  0.120437D+01 -0.828011D+01
      4  -0.614947D+01  0.107889D+02  0.181254D+02 -0.337019D+01  0.166994D+02
      5  -0.148936D+02 -0.266495D+01 -0.498645D+01  0.365645D+01 -0.569948D+01
      6  -0.397452D+01 -0.260046D+01 -0.735406D+01  0.362747D+01 -0.810126D+01
                86            87            88            89            90 
      1  -0.239409D+02  0.669364D+01  0.263352D+01  0.106551D+01 -0.604743D+01
      2   0.463572D+02 -0.698612D+01 -0.690345D+00  0.366988D+01  0.222347D+01
      3  -0.224163D+02  0.292479D+00 -0.194318D+01 -0.473539D+01  0.382396D+01
      4   0.319131D+02 -0.749037D+01  0.167518D+01  0.998832D+00  0.380899D+01
      5  -0.857244D+01  0.510695D+01  0.159192D+01  0.335112D+01 -0.224741D+01
      6  -0.218340D+02  0.115400D+02  0.192796D+01  0.723628D+01 -0.413071D+01
                91            92            93            94            95 
      1  -0.536842D+00 -0.342868D+00 -0.523238D+01 -0.302197D+01 -0.408208D+01
      2  -0.259028D+01  0.115034D+01 -0.363526D+01  0.227474D+01  0.175919D+01
      3   0.312712D+01 -0.807476D+00  0.886764D+01  0.747231D+00  0.232289D+01
      4  -0.116170D+01  0.214660D+01 -0.157852D+01  0.262022D+01  0.209871D+01
      5   0.203923D+01 -0.309056D+00  0.495885D+01  0.161838D+01 -0.197545D+01
      6   0.486479D+00  0.102285D+00 -0.337455D+01 -0.155865D+01 -0.885970D+00
                96            97            98            99           100 
      1  -0.426551D+01 -0.272471D+01  0.554721D+01 -0.326269D+02  0.654338D+01
      2  -0.660176D+01  0.547355D-01 -0.222274D+01 -0.220936D+02 -0.574077D+01
      3   0.108673D+02  0.266997D+01 -0.332447D+01  0.547206D+02 -0.802607D+00
      4  -0.198181D+01 -0.165444D+01 -0.283308D+01  0.703238D+00  0.305614D+01
      5  -0.226591D+01  0.571813D+01  0.130864D+01 -0.106725D+02  0.412190D+01
      6   0.533731D+01 -0.508607D+00  0.876432D+01 -0.165769D+02 -0.173578D+00
               101           102           103           104           105 
      1   0.221419D+01  0.665267D+01  0.406820D+01 -0.270403D+01  0.288929D+01
      2  -0.113904D+01 -0.216207D+01 -0.194304D+01  0.414386D+00  0.670360D+00
      3  -0.107515D+01 -0.449061D+01 -0.212516D+01  0.228964D+01 -0.355965D+01
      4   0.562713D+00  0.482334D+00  0.331890D+01 -0.293234D+01  0.269388D+01
      5   0.124601D+01  0.362158D+01  0.770680D+00  0.250237D+01 -0.479998D+01
      6  -0.798655D+00  0.517919D+00  0.138089D+01 -0.202931D+01  0.678114D+01
               106           107           108           109           110 
      1   0.647265D+01  0.136041D+01 -0.129648D+02  0.799761D+02  0.201278D+02
      2  -0.109311D+02  0.621504D+00 -0.226301D+02 -0.390617D+02 -0.942548D+01
      3   0.445841D+01 -0.198191D+01  0.355949D+02 -0.409145D+02 -0.107023D+02
      4  -0.152898D+01  0.624659D+01 -0.287082D+01  0.238988D+02  0.158153D+02
      5   0.195210D+02 -0.348479D+01  0.485790D+02  0.666381D+01  0.244514D+01
      6  -0.193873D+01  0.597464D+01 -0.722702D+01  0.288231D+01  0.169755D+01
               111           112           113           114           115 
      1   0.185274D+01  0.328057D+02  0.123492D+02  0.130835D+01 -0.150624D+02
      2  -0.218727D+01 -0.145352D+02 -0.280600D+01 -0.154788D+01  0.599184D+01
      3   0.334536D+00 -0.182704D+02 -0.954320D+01  0.239528D+00  0.907054D+01
      4   0.155123D+01  0.184512D+02  0.119855D+02 -0.868567D+00 -0.354493D+01
      5   0.100360D+02  0.410449D+01 -0.901013D+00  0.420372D+01  0.115813D+02
      6   0.748169D+00  0.185119D+01  0.104797D+01  0.175328D+01  0.464297D+00
               116           117           118           119           120 
      1  -0.289014D+01  0.637452D+01 -0.384912D+01 -0.971294D+01  0.231035D+01
      2   0.124042D+01 -0.576920D+01  0.420305D+01  0.141737D+02 -0.263659D+01
      3   0.164972D+01 -0.605322D+00 -0.353925D+00 -0.446076D+01  0.326242D+00
      4  -0.522217D+01  0.240417D+01  0.179581D+01 -0.297436D+01  0.202946D+01
      5   0.242580D+01  0.192287D+01 -0.512619D+00  0.328189D+01  0.565227D+00
      6   0.172363D+01 -0.794580D+00 -0.147197D+01 -0.315294D+01  0.170543D+01
               121           122           123           124           125 
      1  -0.638980D+01 -0.261336D+02  0.518890D+01  0.402302D+01  0.111244D+02
      2   0.543632D+01  0.407256D+02 -0.689676D+01 -0.295639D+01 -0.133251D+02
      3   0.953487D+00 -0.145920D+02  0.170786D+01 -0.106663D+01  0.220070D+01
      4   0.433253D+01 -0.202428D+02  0.168620D+01  0.113202D+01  0.518586D+01
      5   0.204996D+01  0.312664D+01 -0.534321D+01  0.391184D+01 -0.502135D+01
      6  -0.165384D+01 -0.663813D+01  0.743323D+01 -0.745967D+00  0.934875D+01
               126           127           128           129           130 
      1  -0.420889D+01  0.173344D+02 -0.452335D+01 -0.691510D+01 -0.253512D+00
      2   0.415751D+01 -0.106857D+02  0.173766D+01  0.478148D+01 -0.149677D+01
      3   0.513828D-01 -0.664875D+01  0.278570D+01  0.213361D+01  0.175028D+01
      4  -0.411051D+01 -0.145722D+02  0.116611D+02  0.121917D+02  0.974669D+01
      5   0.205317D+01 -0.179429D+02  0.110153D+02  0.201619D+02  0.629530D+01
      6  -0.463835D+01  0.857161D+01 -0.742818D+01 -0.942274D+01 -0.598065D+01
               131           132           133           134           135 
      1  -0.214691D+01  0.755342D+00 -0.121763D+02  0.295946D+01  0.381551D+01
      2   0.564118D+01  0.138115D+01  0.861514D+01 -0.533090D+00 -0.105422D+02
      3  -0.349428D+01 -0.213649D+01  0.356117D+01 -0.242637D+01  0.672670D+01
      4  -0.131945D+02 -0.937010D+01  0.182976D+02 -0.165795D+02 -0.171184D+02
      5  -0.895302D+01 -0.678062D+01  0.242528D+02 -0.159339D+02 -0.315146D+02
      6   0.709048D+01  0.865738D+01 -0.130795D+02  0.137584D+02  0.187336D+02
               136           137           138           139           140 
      1  -0.537530D+00  0.342006D+00 -0.523816D+01  0.302331D+01 -0.408237D+01
      2  -0.258971D+01 -0.114882D+01 -0.364086D+01 -0.227318D+01  0.175757D+01
      3   0.312724D+01  0.806817D+00  0.887902D+01 -0.750124D+00  0.232480D+01
      4   0.116190D+01  0.214517D+01  0.157761D+01  0.262039D+01 -0.209712D+01
      5   0.204296D+01  0.308620D+00  0.495766D+01 -0.161814D+01 -0.197504D+01
      6  -0.486954D+00  0.103342D+00  0.337574D+01 -0.155832D+01  0.883221D+00
               141           142           143           144           145 
      1   0.427058D+01 -0.272933D+01 -0.554099D+01 -0.326257D+02  0.355173D+01
      2   0.660255D+01  0.493421D-01  0.222469D+01 -0.220931D+02  0.466863D+01
      3  -0.108731D+02  0.267999D+01  0.331630D+01  0.547189D+02 -0.822035D+01
      4  -0.198174D+01  0.165309D+01 -0.283155D+01 -0.699627D+00 -0.107894D+02
      5   0.226539D+01  0.571557D+01 -0.130617D+01 -0.106599D+02 -0.266853D+01
      6   0.533814D+01  0.511574D+00  0.876036D+01  0.165599D+02  0.260417D+01
               146           147           148           149           150 
      1   0.350097D+01  0.162356D+01  0.253721D+01 -0.239376D+02 -0.669831D+01
      2  -0.110748D+02 -0.282860D+01 -0.108126D+02  0.463396D+02  0.699125D+01
      3   0.757379D+01  0.120504D+01  0.827544D+01 -0.224021D+02 -0.292940D+00
      4   0.181232D+02  0.337414D+01  0.166958D+02 -0.319036D+02 -0.749536D+01
      5   0.499021D+01  0.365827D+01  0.570266D+01 -0.857770D+01 -0.511005D+01
      6  -0.735778D+01 -0.362996D+01 -0.810551D+01  0.218447D+02  0.115456D+02
               151           152           153           154           155 
      1   0.263247D+01 -0.107124D+01 -0.604933D+01 -0.384242D+01  0.970196D+01
      2  -0.692711D+00 -0.365948D+01  0.222323D+01  0.419426D+01 -0.141588D+02
      3  -0.193976D+01  0.473072D+01  0.382610D+01 -0.351840D+00  0.445682D+01
      4  -0.167099D+01  0.990445D+00 -0.380955D+01 -0.179657D+01 -0.297199D+01
      5   0.159228D+01 -0.335227D+01 -0.224928D+01 -0.512092D+00 -0.328321D+01
      6  -0.192896D+01  0.723930D+01  0.413483D+01  0.147441D+01 -0.315907D+01
               156           157           158           159           160 
      1   0.231543D+01  0.638304D+01 -0.261244D+02 -0.519945D+01  0.402707D+01
      2  -0.264132D+01 -0.542665D+01  0.407132D+02  0.690991D+01 -0.295751D+01
      3   0.325887D+00 -0.956398D+00 -0.145888D+02 -0.171045D+01 -0.106956D+01
      4  -0.203003D+01  0.433607D+01  0.202502D+02  0.169470D+01 -0.112791D+01
      5   0.563940D+00 -0.204862D+01  0.313547D+01  0.534774D+01  0.391133D+01
      6  -0.170638D+01 -0.165455D+01  0.665790D+01  0.743985D+01  0.746200D+00
               161           162           163           164           165 
      1  -0.111338D+02 -0.421647D+01  0.173170D+02  0.451845D+01 -0.690798D+01
      2   0.133363D+02  0.416316D+01 -0.106738D+02 -0.173229D+01  0.477217D+01
      3  -0.220257D+01  0.533139D-01 -0.664316D+01 -0.278617D+01  0.213580D+01
      4   0.519837D+01  0.411671D+01  0.145647D+02  0.116613D+02 -0.121908D+02
      5   0.502783D+01  0.206079D+01 -0.179287D+02 -0.110148D+02  0.201502D+02
      6   0.935847D+01  0.464927D+01 -0.856866D+01 -0.742841D+01  0.941918D+01
               166           167           168           169           170 
      1   0.253172D+00 -0.214925D+01 -0.754949D+00 -0.121693D+02 -0.295608D+01
      2   0.149936D+01  0.564626D+01 -0.138187D+01  0.860498D+01  0.529298D+00
      3  -0.175254D+01 -0.349701D+01  0.213682D+01  0.356428D+01  0.242678D+01
      4   0.974977D+01  0.132038D+02 -0.937218D+01 -0.182982D+02 -0.165857D+02
      5  -0.629710D+01 -0.895483D+01  0.678580D+01  0.242428D+02  0.159403D+02
      6  -0.598206D+01 -0.709476D+01  0.866216D+01  0.130788D+02  0.137662D+02
               171           172           173           174           175 
      1   0.380411D+01  0.655080D+01 -0.221824D+01  0.664952D+01 -0.407178D+01
      2  -0.105306D+02 -0.574674D+01  0.114061D+01 -0.216776D+01  0.194532D+01
      3   0.672649D+01 -0.804060D+00  0.107763D+01 -0.448176D+01  0.212647D+01
      4   0.171232D+02 -0.305758D+01  0.566429D+00 -0.481789D+00  0.332101D+01
      5  -0.315130D+02  0.412825D+01 -0.124489D+01  0.363553D+01 -0.772335D+00
      6  -0.187409D+02  0.172477D+00 -0.796660D+00 -0.514711D+00  0.138210D+01
               176           177           178           179           180 
      1  -0.270022D+01 -0.288167D+01  0.647536D+01 -0.135425D+01 -0.129464D+02
      2   0.412083D+00 -0.668870D+00 -0.109412D+02 -0.618896D+00 -0.226422D+02
      3   0.228814D+01  0.355054D+01  0.446589D+01  0.197315D+01  0.355886D+02
      4   0.292909D+01  0.269442D+01  0.152549D+01  0.624748D+01  0.285948D+01
      5   0.250313D+01  0.478733D+01  0.195411D+02  0.347322D+01  0.486001D+02
      6   0.202379D+01  0.677764D+01  0.193562D+01  0.597147D+01  0.720912D+01
               181           182           183           184           185 
      1   0.799647D+02 -0.201321D+02  0.182842D+01 -0.328028D+02  0.123495D+02
      2  -0.390520D+02  0.942565D+01 -0.217399D+01  0.145314D+02 -0.280478D+01
      3  -0.409128D+02  0.107065D+02  0.345569D+00  0.182714D+02 -0.954473D+01
      4  -0.239060D+02  0.158178D+02 -0.154295D+01  0.184536D+02 -0.119865D+02
      5   0.662910D+01 -0.243593D+01  0.100320D+02 -0.408937D+01 -0.908965D+00
      6  -0.287691D+01  0.169532D+01 -0.747429D+00  0.184671D+01 -0.104428D+01
               186           187           188           189 
      1  -0.129889D+01 -0.150922D+02  0.289863D+01  0.637957D+01
      2   0.154354D+01  0.600716D+01 -0.124384D+01 -0.577086D+01
      3  -0.244651D+00  0.908501D+01 -0.165479D+01 -0.608712D+00
      4  -0.875746D+00  0.355575D+01 -0.523024D+01 -0.240815D+01
      5  -0.420346D+01  0.115855D+02 -0.242948D+01  0.191071D+01
      6   0.175308D+01 -0.464598D+00  0.172320D+01  0.794992D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106095D+03      0.157217D+02      0.174927D+02
   aniso      0.263213D+02      0.390041D+01      0.433980D+01
   xx         0.123297D+03      0.182707D+02      0.203289D+02
   yx        -0.299274D-03     -0.443478D-04     -0.493436D-04
   yy         0.100105D+03      0.148340D+02      0.165051D+02
   zx         0.148541D+01      0.220115D+00      0.244910D+00
   zy         0.111785D-03      0.165648D-04      0.184309D-04
   zz         0.948839D+02      0.140603D+02      0.156442D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106095D+03      0.157217D+02      0.174927D+02
   aniso      0.263213D+02      0.390041D+01      0.433980D+01
   xx         0.123336D+03      0.182765D+02      0.203354D+02
   yx        -0.486007D+00     -0.720188D-01     -0.801317D-01
   yy         0.948173D+02      0.140505D+02      0.156333D+02
   zx        -0.829646D+00     -0.122941D+00     -0.136790D+00
   zy        -0.103597D+00     -0.153515D-01     -0.170808D-01
   zz         0.100132D+03      0.148380D+02      0.165095D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RM11\Gen\C9H12\PIERPA\08-Jul-2021\0\\#P M11/G
 en Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read
  Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.850997,1.132902,-1
 .10565\C,1.349583,0.074712,-0.171197\C,0.000033,0.589081,-0.000049\C,2
 .545757,-0.163361,0.661658\C,2.010439,-1.243659,-0.273932\C,-0.8508,1.
 13255,1.105829\C,-1.349503,0.074646,0.171128\C,-2.010462,-1.243726,0.2
 73569\C,-2.545996,-0.163032,-0.661407\H,1.247956,2.136318,-0.998967\H,
 0.606749,0.844078,-2.122271\H,2.409697,-0.307621,1.726593\H,3.473352,0
 .323369,0.386964\H,1.522142,-2.099447,0.175269\H,2.586225,-1.466945,-1
 .163587\H,-0.606306,0.843541,2.122338\H,-1.24784,2.135964,0.99944\H,-1
 .522526,-2.099396,-0.176207\H,-2.585918,-1.467289,1.163367\H,-2.410375
 ,-0.306923,-1.726447\H,-3.47345,0.323675,-0.386186\\Version=ES64L-G16R
 evA.03\State=1-A\HF=-350.184084\RMSD=6.763e-09\RMSF=3.867e-06\ZeroPoin
 t=0.1816545\Thermal=0.1902387\Dipole=-0.0000225,0.0006539,-0.0000157\D
 ipoleDeriv=0.0441472,0.0229242,0.0418348,-0.0035406,0.0325966,0.098281
 4,0.0410455,0.11593,-0.0071946,-0.0431092,0.1814136,-0.0811574,0.20024
 5,0.0217823,0.074772,-0.1110469,0.0479791,0.1274627,-0.0851046,0.00000
 17,0.1614893,0.0000231,0.1930791,-0.0000116,0.1540475,-0.0000199,0.096
 6244,-0.0030876,-0.0185548,-0.0971774,-0.0698904,0.0559693,-0.0457673,
 -0.0997486,-0.0447446,0.0154346,0.100947,0.0073863,-0.0295378,0.017773
 9,-0.0920419,-0.0706457,0.0169835,-0.0676885,0.0633715,0.0441304,-0.02
 29887,0.0418786,0.0034768,0.0326479,-0.0982374,0.0410912,-0.1159148,-0
 .0072472,-0.043081,-0.181395,-0.0811632,-0.2002701,0.0218608,-0.074769
 ,-0.1110858,-0.0479392,0.1273633,0.1009166,-0.0073241,-0.0295144,-0.01
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 I WANT IT ALL - RICH, THIN, AND CHOCOLATE.
 Job cpu time:       0 days  8 hours 58 minutes 24.0 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 42.7 seconds.
 File lengths (MBytes):  RWF=    267 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 19:56:14 2021.
